SCHEMBL12200048

SCHEMBL12200048

COCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.75
EGFR P00533 17/20 0.72
GAK O14976 1/20 0.72
ERBB4 Q15303 3/20 0.64
HDAC3 O15379 2/20 0.63
ABL1 P00519 2/20 0.63
INSR P06213 2/20 0.63
PDGFRB P09619 2/20 0.63
CDK2 P24941 2/20 0.63
PLK1 P53350 2/20 0.63
HDAC4 P56524 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63

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
SCHEMBL6954367 0.91 EGFR (0.80) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL2505727 0.88 ERBB2 (0.75) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL12200052 0.87 EGFR (0.68) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL4865102 0.86 EGFR (0.75) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL2507131 0.86 EGFR (0.75) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL14878664 0.86 EGFR (0.79) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL12691367 0.86 EGFR (0.76) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL2509266 0.85 EGFR (0.79) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL24535497 0.85 EGFR (0.75) ERBB2EGFRGAKERBB4HDAC3
SCHEMBL14509726 0.85 EGFR (0.75) ERBB2EGFRGAKERBB4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309563-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2012-11-13 US disclosed
US-8309563-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2012-11-13 US disclosed
US-8044063-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-25 US disclosed
US-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-06 US disclosed
US-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-06 US disclosed
EP-2248806-A2 Quinazoline derivatives as tyrosine kinase inhibitors Shanghai Allist Pharmaceuticals, Inc. (CN) 2010-11-10 EP disclosed
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2008-12-04 US disclosed
EP-1990337-A1 QUINAZOLINE DERIVATIVES,PREPARATION METHODS AND USES THEREOF SHANGHAI ALLIST PHARMACEUTICAL., INC. (CN) 2008-11-12 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 (2 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-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament TP53, NQO2, TOP1 ERBB2 3151/4885EGFR 3303/4885GAK 1610/4885
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof NQO2, AQP3, AQP1 ERBB2 2993/4885EGFR 2954/4885GAK 1241/4885

“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.