SCHEMBL799667

SCHEMBL799667

COCCOc1cc2ncnc(Nc3cccc(C)c3)c2cc1OCCOC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.78
KDR P35968 4/20 0.73
FLT1 P17948 2/20 0.73
ERBB2 P04626 2/20 0.73
ILK Q13418 2/20 0.73
KDM1A O60341 2/20 0.73
GAK O14976 2/20 0.73
FGFR1 P11362 1/20 0.73
FBP1 P09467 1/20 0.73
PLK4 O00444 1/20 0.73
CIT O14578 1/20 0.73
AURKA O14965 1/20 0.73
EPHB6 O15197 1/20 0.73
SLC22A1 O15245 1/20 0.73
DAPK3 O43293 1/20 0.73
RIPK2 O43353 1/20 0.73
BUB1 O43683 1/20 0.73
JAK2 O60674 1/20 0.73
RPS6KA4 O75676 1/20 0.73
STK17B O94768 1/20 0.73

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
Hydrochloric Acid SCHEMBL8870869 0.99 EGFR (0.76) EGFRKDRFLT1ERBB2ILK
SCHEMBL2099775 0.97 EGFR (0.83) EGFRKDRFLT1ERBB2ILK
SCHEMBL8872430 0.88 EGFR (0.72) EGFRKDRFLT1ERBB2ILK
SCHEMBL20805304 0.88 EGFR (0.77) EGFRKDRFLT1ERBB2ILK
SCHEMBL21388275 0.88 EGFR (0.62) EGFRKDRFLT1ERBB2ILK
SCHEMBL14551678 0.87 FBP1 (0.77) EGFRKDRFLT1ERBB2ILK
SCHEMBL18447218 0.87 KDM1A (0.77) EGFRKDRFLT1ERBB2ILK
SCHEMBL2100996 0.87 EGFR (0.77) EGFRERBB2FBP1ERBB4
SCHEMBL2101009 0.87 EGFR (0.81) EGFRKDRFLT1ERBB2GAK
SCHEMBL8870965 0.87 EGFR (0.81) EGFRKDRFLT1ERBB2GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 EP claimed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US claimed
US-20240016800-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL UNIVERSITY OF SOUTHERN CALIFORNIA 2024-01-18 US disclosed
US-11786521-B2 Methods of treating neurofibromatosis with perillyl alcohol UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-10-17 US disclosed
US-20230218572-A1 COMPOSITIONS AND METHODS FOR IMPROVED MESENCHYMAL STEM CELL THERAPY University of Hong Kong Versitech Limited (CN) 2023-07-13 US disclosed
US-11672812-B2 Methods and compositions comprising tyrosine kinase inhibitor and triptolide for the treatment of cancer CITY OF HOPE (US) 2023-06-13 US disclosed
EP-3340990-B1 PHARMACEUTICAL COMBINATIONS COMPRISING (A) THE CYCLIN DEPENDENT KINASE 4/6 (CDK4/6) INHIBITOR LEE011 (=RIBOCICLIB), AND (B) THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) INHIBITOR ERLOTINIB, FOR THE TREATMENT OR PREVENTION OF CANCER NOVARTIS AG (CH) 2019-09-25 EP disclosed
WO-2018112111-A1 EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) TARGETED PHOTOSENSITIZERS HEALTH RESEARCH, INC. (US) 2018-06-21 WO disclosed
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2016-10-20 US disclosed
US-9220696-B2 Pharmaceutical combinations for treatment of specific cancers ARDEA BIOSCIENCES, INC. (US) 2015-12-29 US disclosed
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2015-03-26 US disclosed
WO-2008108741-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S*BIO PTE LTD (SG) 2008-09-12 WO disclosed
EP-1853300-A2 METHODS OF USING DEATH RECEPTOR AGONISTS AND EGFR INHIBITORS Genentech, Inc. (US) 2007-11-14 EP disclosed
WO-2007013950-A9 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH INC (US) 2007-03-29 WO disclosed
WO-2007013950-A2 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2007-02-01 WO disclosed
US-20070020261-A1 Combination therapy of her expressing tumors GENENTECH, INC. 2007-01-25 US disclosed
WO-2006089015-A2 METHODS OF USING DEATH RECEPTOR AGONISTS AND EGFR INHIBITORS GENENTECH, INC. (US) 2006-08-24 WO disclosed
US-20060188498-A1 Methods of using death receptor agonists and EGFR inhibitors GENENTECH, INC. 2006-08-24 US disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 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 (8 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-11672812-B2 Methods and compositions comprising tyrosine kinase inhibitor and triptolide for the treatment of cancer FLT3, ABL1, TNNI3K EGFR 184/4885KDR 375/4885FLT1 274/4885
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 EGFR 2/4885KDR 34/4885FLT1 46/4885
US-20060188498-A1 Methods of using death receptor agonists and EGFR inhibitors EGFR, ERBB4, TNFRSF9 EGFR 1/4885KDR 50/4885FLT1 253/4885
US-20070020261-A1 Combination therapy of her expressing tumors ERBB2, EGFR, ERBB3 EGFR 2/4885KDR 34/4885FLT1 46/4885
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885KDR 33/4885FLT1 18/4885
US-20240016800-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL PMP22, CHAT, REL EGFR 2906/4885KDR 1483/4885FLT1 1412/4885
US-20230218572-A1 COMPOSITIONS AND METHODS FOR IMPROVED MESENCHYMAL STEM CELL THERAPY LDLR, HMGCR, CD59 EGFR 19/4885KDR 433/4885FLT1 1636/4885
US-11786521-B2 Methods of treating neurofibromatosis with perillyl alcohol PMP22, CHAT, REL EGFR 2906/4885KDR 1483/4885FLT1 1412/4885

“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.