SCHEMBL2100935

SCHEMBL2100935

Oc1ccc(Nc2ncnc3cc4c(cc23)OCO4)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.64
ABL1 P00519 4/20 0.62
PDGFRB P09619 4/20 0.62
FGFR1 P11362 4/20 0.62
SRC P12931 4/20 0.62
KDR P35968 3/20 0.62
ALK Q9UM73 3/20 0.59
GAK O14976 1/20 0.59
RIPK2 O43353 1/20 0.59
STK10 O94804 1/20 0.59
RET P07949 1/20 0.59
FLT3 P36888 1/20 0.59
JAK3 P52333 1/20 0.59
AAK1 Q2M2I8 1/20 0.59
Q6ZSR9 Q6ZSR9 1/20 0.59
SLK Q9H2G2 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.59
RPS6KA6 Q9UK32 1/20 0.59
LCK P06239 1/20 0.57
KDM4E B2RXH2 1/20 0.56

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 SCHEMBL8813398 0.80 EGFR (0.67) EGFRABL1PDGFRBFGFR1SRC
Hydrochloric Acid SCHEMBL8809787 0.80 EGFR (0.67) EGFRABL1PDGFRBFGFR1SRC
Hydrochloric Acid SCHEMBL8809541 0.79 EGFR (0.65) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL8872136 0.78 EGFR (0.74) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL6797080 0.78 EGFR (0.81) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL12696080 0.77 EGFR (1.00) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL7465236 0.76 EGFR (0.58) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL16156117 0.76 EGFR (0.57) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL1507604 0.75 EGFR (0.87) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL21967048 0.75 EGFR (0.76) EGFRABL1PDGFRBFGFR1SRC

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 30 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
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP claimed
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2016-10-20 US disclosed
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2015-03-26 US disclosed
US-20150056207-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2015-02-26 US disclosed
US-20150031695-A1 SMALL MOLECULE COMPOUNDS FOR TARGETING INFLAMMATORY CONDITIONS BROOKS MICHAEL WEST (US) 2015-01-29 US disclosed
WO-2013158482-A1 SMALL MOLECULE COMPOUNDS FOR TARGETING INFLAMMATORY CONDITIONS BROOKS MARVIN B (US) 2013-10-24 WO disclosed
US-20130281448-A1 SMALL MOLECULE COMPOUNDS FOR TARGETING INFLAMMATORY CONDITIONS BROOKS FAMILY TRUST 2013-10-24 US disclosed
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS SLIWKOWSKI MARK X (US) 2012-10-04 US disclosed
US-20120189573-A1 Methods of using death receptor agonists and EGFR inhibitors GENENTECH, INC. (US) 2012-07-26 US 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
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 EP 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
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 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 (9 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-20120189573-A1 Methods of using death receptor agonists and EGFR inhibitors EGFR, ERBB4, TNFRSF9 EGFR 1/4885ABL1 717/4885PDGFRB 381/4885
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 EGFR 2/4885ABL1 64/4885PDGFRB 59/4885
US-20150031695-A1 SMALL MOLECULE COMPOUNDS FOR TARGETING INFLAMMATORY CONDITIONS TYK2, PTGES2, PAK2 EGFR 223/4885ABL1 2915/4885PDGFRB 1395/4885
US-20060188498-A1 Methods of using death receptor agonists and EGFR inhibitors EGFR, ERBB4, TNFRSF9 EGFR 1/4885ABL1 717/4885PDGFRB 381/4885
US-20070020261-A1 Combination therapy of her expressing tumors ERBB2, EGFR, ERBB3 EGFR 2/4885ABL1 64/4885PDGFRB 59/4885
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885ABL1 22/4885PDGFRB 14/4885
US-20150056207-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885ABL1 22/4885PDGFRB 14/4885
US-20130281448-A1 SMALL MOLECULE COMPOUNDS FOR TARGETING INFLAMMATORY CONDITIONS TYK2, PTGES2, KRAS EGFR 131/4885ABL1 2982/4885PDGFRB 1197/4885
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 EGFR 2/4885ABL1 64/4885PDGFRB 59/4885

“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.