SCHEMBL1507459

SCHEMBL1507459

C#Cc1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.71
ABCG2 Q9UNQ0 2/20 0.63
ALK Q9UM73 1/20 0.61
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
HTT P42858 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
FBP1 P09467 2/20 0.58
GAK O14976 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ERBB2 P04626 1/20 0.56
ERBB4 Q15303 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 SCHEMBL1507485 0.99 EGFR (0.69) EGFRABCG2ALKALDH1A1MAPT
SCHEMBL1507420 0.91 EGFR (0.71) EGFRABCG2ALKALDH1A1MAPT
Hydrochloric Acid SCHEMBL1507467 0.90 EGFR (0.69) EGFRABCG2ALKALDH1A1MAPT
Hydrochloric Acid SCHEMBL8683240 0.85 EGFR (0.68) EGFRABCG2ALKALDH1A1MAPT
SCHEMBL18349251 0.84 EGFR (0.77) EGFRABCG2ALKALDH1A1MAPT
SCHEMBL28687823 0.83 ABCG2 (0.61) EGFRABCG2
SCHEMBL1192454 0.83 EGFR (1.00) EGFRABCG2ALKALDH1A1MAPT
SCHEMBL3244621 0.83 EGFR (1.00) EGFRABCG2ALKERBB2
SCHEMBL8871973 0.83 EGFR (0.83) EGFRABCG2ALKALDH1A1MAPT
SCHEMBL4587413 0.83 EGFR (0.83) EGFRABCG2ALKALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2016-10-20 US claimed
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2015-03-26 US claimed
US-20150056207-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2015-02-26 US claimed
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS SLIWKOWSKI MARK X (US) 2012-10-04 US claimed
US-8163287-B2 Combination therapy of her expressing tumors GENENTECH, INC. (US) 2012-04-24 US claimed
EP-2344543-A2 TREATMENT METHOD Genentech, Inc. (US) 2011-07-20 EP claimed
JP-2011513427-A 2011-04-28 JP claimed
EP-2295415-A1 Quinazoline derivatives OSI Pharmaceuticals, Inc. (US) 2011-03-16 EP claimed
EP-2257293-A2 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS Genentech, Inc. (US) 2010-12-08 EP claimed
WO-2010045345-A2 TREATMENT METHOD GENENTECH, INC. (US) 2010-04-22 WO claimed
WO-2007013950-A9 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH INC (US) 2007-03-29 WO claimed
WO-2007013950-A2 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2007-02-01 WO claimed
US-20070020261-A1 Combination therapy of her expressing tumors GENENTECH, INC. 2007-01-25 US claimed
EP-0817775-B1 QUINAZOLINE DERIVATIVES PFIZER (US) 2001-09-12 EP claimed
EP-1110953-A1 Quinazoline derivatives PFIZER INC. (US) 2001-06-27 EP claimed
CN-1066142-C Quinazoline derivatives PFIZER (US) 2001-05-23 CN claimed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US claimed
EP-0817775-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1998-01-14 EP claimed
CN-1137037-A Quinazoline derivatives PFIZER (US) 1996-12-04 CN claimed
WO-1996030347-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1996-10-03 WO claimed

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

For each of this compound's patents that has machine-readable text (5 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-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 EGFR 2/4885ABCG2 3176/4885ALK 119/4885
US-20070020261-A1 Combination therapy of her expressing tumors ERBB2, EGFR, ERBB3 EGFR 2/4885ABCG2 3176/4885ALK 119/4885
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885ABCG2 2367/4885ALK 10/4885
US-20150056207-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885ABCG2 2367/4885ALK 10/4885
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 EGFR 2/4885ABCG2 3176/4885ALK 119/4885

“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.