SCHEMBL2533904

SCHEMBL2533904

O=[N+]([O-])c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.70
GAK O14976 1/20 0.70
ERBB2 P04626 8/20 0.65
ERBB4 Q15303 3/20 0.62
ERBB3 P21860 1/20 0.61

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
SCHEMBL29719074 0.94 EGFR (0.69) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL16212746 0.94 EGFR (0.69) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL22983584 0.92 EGFR (0.67) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL29719131 0.92 EGFR (0.67) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL2533768 0.92 EGFR (0.79) EGFRGAKERBB2ERBB4
SCHEMBL16212314 0.91 EGFR (0.70) EGFRGAKERBB2ERBB4
SCHEMBL15928200 0.90 EGFR (0.67) EGFRGAKERBB2ERBB4
SCHEMBL15928186 0.90 EGFR (0.67) EGFRGAKERBB2ERBB4
SCHEMBL22983689 0.88 EGFR (0.64) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL233118 0.88 EGFR (0.70) EGFRGAKERBB2ERBB4ERBB3

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 11 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
CN-101347433-B Pharmacy use of 4-aniline quinazoline derivatives ALLIST PHARMACEUTICALS INC 2012-05-02 CN 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
CN-101103005-B Quinazoline derivatives, preparation methods and uses thereof ALLIST PHARMACEUTICALS INC 2011-05-04 CN disclosed
EP-2248806-A2 Quinazoline derivatives as tyrosine kinase inhibitors Shanghai Allist Pharmaceuticals, Inc. (CN) 2010-11-10 EP disclosed
CN-101347433-A Pharmacy use of 4-aniline quinazoline derivatives ALLIST PHARMACEUTICALS INC (CN) 2009-01-21 CN 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
CN-101103005-A Quinazoline derivatives, preparation methods and uses thereof ALLIST PHARMACEUTICALS INC (CN) 2008-01-09 CN disclosed
CN-101003514-A Derivative of quinazoline, preparation method and usage AILISI MEDICINES TECH CO LTD S (CN) 2007-07-25 CN 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.