SCHEMBL10169911

SCHEMBL10169911

Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc23)ccc1Oc1ccn2ncnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.60
ERBB2 P04626 14/20 0.60
ABCB11 O95342 2/20 0.57
MEN1 O00255 1/20 0.57
PIK3C2B O00750 1/20 0.57
MAP2K7 O14733 1/20 0.57
RIPK2 O43353 1/20 0.57
PIK3C2G O75747 1/20 0.57
STK10 O94804 1/20 0.57
ABL1 P00519 1/20 0.57
INSR P06213 1/20 0.57
RET P07949 1/20 0.57
CYP3A4 P08684 1/20 0.57
PDGFRB P09619 1/20 0.57
SRC P12931 1/20 0.57
CYP3A5 P20815 1/20 0.57
ERBB3 P21860 1/20 0.57
CDK2 P24941 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29444158 1.00 EGFR (0.60) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4475255 0.85 EGFR (0.65) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL20605530 0.82 EGFR (0.60) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4466078 0.81 EGFR (0.59) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4475881 0.80 ERBB2 (0.60) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL19154550 0.80 EGFR (0.75) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL17243600 0.79 EGFR (0.83) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL18211401 0.78 EGFR (0.86) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL24167354 0.78 ERBB2 (0.71) EGFRERBB2NQO2FECHMYH14
SCHEMBL30137776 0.78 ERBB2 (0.71) EGFRERBB2NQO2FECHMYH14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021144360-A1 SMALL MOLECULE CSF-1R INHIBITORS IN THERAPEUTIC AND COSMETIC USES F. HOFFMANN-LA ROCHE AG (CH) 2021-07-22 WO claimed
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
WO-2021144360-A1 SMALL MOLECULE CSF-1R INHIBITORS IN THERAPEUTIC AND COSMETIC USES F. HOFFMANN-LA ROCHE AG (CH) 2021-07-22 WO disclosed
US-20210008023-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2021-01-14 US disclosed
US-10780073-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2020-09-22 US disclosed
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF SG CREDIT PARTNERS, INC. 2020-05-28 US disclosed
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2020-05-28 US disclosed
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2020-02-04 US disclosed
WO-2015013579-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
WO-2014175444-A1 ANTI-NLRR1 ANTIBODY 千葉県 (JP) 2014-10-30 WO disclosed
US-8648087-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2014-02-11 US disclosed
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. (US) 2014-01-23 US disclosed
US-20120052061-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS TRAGARA PHARMACEUTICALS INC. (US) 2012-03-01 US disclosed
US-20120052061-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS TRAGARA PHARMACEUTICALS INC. (US) 2012-03-01 US disclosed
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites TRAGARA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites TRAGARA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 US disclosed
EP-1971601-B1 N4-PHENYL-QUINAZOLINE-4 -AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2009-10-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210008023-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 EGFR 4/4885ERBB2 2/4885ABCB11 3116/4885
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 EGFR 4/4885ERBB2 2/4885ABCB11 3246/4885
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 EGFR 2297/4885ERBB2 1593/4885ABCB11 537/4885
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ERBB4, ERBB2, ERBB3 EGFR 4/4885ERBB2 2/4885ABCB11 3246/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 EGFR 1810/4885ERBB2 2165/4885ABCB11 275/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 EGFR 2297/4885ERBB2 1593/4885ABCB11 537/4885
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 EGFR 4/4885ERBB2 2/4885ABCB11 3246/4885
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites PTGS2, PTGES2, PTGER2 EGFR 2749/4885ERBB2 1835/4885ABCB11 328/4885
US-20120052061-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS ERBB2, PTGER2, PTGS2 EGFR 6/4885ERBB2 1/4885ABCB11 4485/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 EGFR 1810/4885ERBB2 2165/4885ABCB11 275/4885
US-10780073-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 EGFR 4/4885ERBB2 2/4885ABCB11 3246/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 EGFR 2109/4885ERBB2 2467/4885ABCB11 150/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.