SCHEMBL12200053

SCHEMBL12200053

CS(=O)(=O)OCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.82
▸ ERBB2 P04626 16/20 0.82
▸ MEN1 O00255 1/20 0.79
▸ PIK3C2B O00750 1/20 0.79
▸ MAP2K7 O14733 1/20 0.79
▸ RIPK2 O43353 1/20 0.79
▸ PIK3C2G O75747 1/20 0.79
▸ STK10 O94804 1/20 0.79
▸ ABCB11 O95342 1/20 0.79
▸ ABL1 P00519 1/20 0.79
▸ INSR P06213 1/20 0.79
▸ RET P07949 1/20 0.79
▸ CYP3A4 P08684 1/20 0.79
▸ PDGFRB P09619 1/20 0.79
▸ SRC P12931 1/20 0.79
▸ CYP3A5 P20815 1/20 0.79
▸ ERBB3 P21860 1/20 0.79
▸ CDK2 P24941 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ KCNH2 Q12809 1/20 0.79

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
SCHEMBL28350419 0.91 EGFR (0.85) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL15766101 0.90 EGFR (0.82) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL4006411 0.90 EGFR (1.00) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL19754074 0.89 EGFR (0.85) EGFRERBB2MEN1PIK3C2BMAP2K7
Lapatinib SCHEMBL8100 0.88 EGFR (1.00) EGFRERBB2MEN1PIK3C2BMAP2K7
Lapatinib SCHEMBL29351024 0.88 EGFR (1.00) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL467908 0.88 EGFR (0.81) EGFRERBB2MEN1PIK3C2BMAP2K7
Lapatinib SCHEMBL29464189 0.88 EGFR (1.00) EGFRERBB2MEN1PIK3C2BMAP2K7
Lapatinib SCHEMBL16766960 0.88 EGFR (1.00) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL24535446 0.88 EGFR (0.83) EGFRERBB2MEN1PIK3C2BMAP2K7

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 10 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
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 3303/4885ERBB2 3151/4885MEN1 165/4885
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof NQO2, AQP3, AQP1 EGFR 2954/4885ERBB2 2993/4885MEN1 176/4885

“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.

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