SCHEMBL12200052

SCHEMBL12200052

COCCOCc1cccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.68
GAK O14976 1/20 0.68
ERBB2 P04626 15/20 0.66
ABL1 P00519 5/20 0.66
INSR P06213 5/20 0.66
PDGFRB P09619 5/20 0.66
CDK2 P24941 5/20 0.66
PLK1 P53350 5/20 0.66
HDAC1 Q13547 4/20 0.66
HDAC8 Q9BY41 4/20 0.66
HDAC6 Q9UBN7 4/20 0.66
HDAC3 O15379 3/20 0.66
HDAC4 P56524 3/20 0.66
HDAC7 Q8WUI4 3/20 0.66
HDAC2 Q92769 3/20 0.66
HDAC10 Q969S8 3/20 0.66
HDAC11 Q96DB2 3/20 0.66
HDAC9 Q9UKV0 3/20 0.66
HDAC5 Q9UQL6 3/20 0.66
ERBB4 Q15303 1/20 0.60

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
SCHEMBL2510588 0.89 EGFR (0.71) EGFRGAKERBB2ABL1INSR
SCHEMBL17083347 0.88 EGFR (0.74) EGFRGAKERBB2ABL1INSR
SCHEMBL2508006 0.88 EGFR (0.78) EGFRGAKERBB2ABL1INSR
SCHEMBL12200048 0.87 ERBB2 (0.75) EGFRGAKERBB2ABL1INSR
SCHEMBL2507131 0.87 EGFR (0.75) EGFRGAKERBB2ABL1INSR
SCHEMBL20365436 0.87 EGFR (0.72) EGFRGAKERBB2ABL1INSR
SCHEMBL17075806 0.86 EGFR (0.75) EGFRGAKERBB2ABL1INSR
SCHEMBL2505379 0.85 EGFR (0.75) EGFRGAKERBB2ABL1INSR
SCHEMBL24413857 0.84 EGFR (0.69) EGFRGAKERBB2ABL1INSR
SCHEMBL17075857 0.84 EGFR (0.68) EGFRGAKERBB2ABL1INSR

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-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-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 EGFR 3303/4885GAK 1610/4885ERBB2 3151/4885
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof NQO2, AQP3, AQP1 EGFR 2954/4885GAK 1241/4885ERBB2 2993/4885

“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.