SCHEMBL2987648

SCHEMBL2987648

Nc1ccc2ncnc(Nc3ccc(OCc4nccs4)c(Cl)c3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.68
ERBB2 P04626 12/20 0.68
RIPK2 O43353 1/20 0.68
YES1 P07947 1/20 0.68
FECH P22830 1/20 0.68
ERBB4 Q15303 1/20 0.68
RIPK3 Q9Y572 1/20 0.68
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
LCK P06239 1/20 0.50
EPHA2 P29317 1/20 0.46
KDR P35968 1/20 0.46
EPHB4 P54760 1/20 0.46

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
SCHEMBL28342403 0.85 EGFR (0.62) EGFRERBB2RIPK2YES1FECH
SCHEMBL1383277 0.84 EGFR (0.72) EGFRERBB2RIPK2YES1FECH
SCHEMBL4862992 0.82 ERBB2 (0.63) EGFRERBB2ERBB4LCKEPHA2
SCHEMBL24087741 0.82 EGFR (0.59) EGFRERBB2RIPK2YES1FECH
SCHEMBL12851552 0.82 EGFR (0.75) EGFRERBB2RIPK2YES1FECH
SCHEMBL12205088 0.82 EGFR (0.75) EGFRERBB2RIPK2YES1FECH
SCHEMBL24087765 0.82 ERBB2 (0.75) EGFRERBB2RIPK2YES1FECH
SCHEMBL8150849 0.82 EGFR (0.57) EGFRERBB2RIPK2YES1FECH
Varlitinib SCHEMBL1384037 0.81 EGFR (1.00) EGFRERBB2RIPK2YES1FECH
SCHEMBL12851512 0.81 EGFR (0.69) EGFRERBB2RIPK2YES1FECH

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379070-A1 MALONATE SALT OF VARLITINIB ASLAN PHARMACEUTICALS PTE LTD (SG) 2021-12-09 US disclosed
CN-110577520-B Preparation method of 6-nitro-4-substituted amino quinazoline derivative 新发药业有限公司 2020-12-01 CN disclosed
CN-110577520-A Preparation method of 6-nitro-4-substituted amino quinazoline derivative 新发药业有限公司 2019-12-17 CN disclosed
US-7777032-B2 N-4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-N6-(3-ethyl-oxazolidin-2-ylidene)-quinazoline-4,6-diamine; use as type I receptor tyrosine kinase inhibitor; hyperproliferation diseases such as cancer; antiinflammatory agents ARRAY BIOPHARMA INC. (US) 2010-08-17 US disclosed
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-10-29 US disclosed
US-7585975-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2009-09-08 US disclosed
US-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US disclosed
US-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ARRAY BIOPHARM, INC. (US) 2008-08-14 US disclosed
US-20050101616-A1 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 US 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 (4 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-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ABL1, ERBB2, FLT3 EGFR 8/4885ERBB2 2/4885RIPK2 757/4885
US-20210379070-A1 MALONATE SALT OF VARLITINIB KRAS, JAK1, JAK2 EGFR 63/4885ERBB2 138/4885RIPK2 1308/4885
US-20050101616-A1 Quinazoline analogs as receptor tyrosine kinase inhibitors ABL1, ERBB2, FLT3 EGFR 8/4885ERBB2 2/4885RIPK2 757/4885
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ABL1, ERBB2, FLT3 EGFR 8/4885ERBB2 2/4885RIPK2 757/4885

“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.