SCHEMBL12200065

SCHEMBL12200065

Cc1ccc(COS(C)(=O)=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPT P10636 3/20 0.41
ALOX5 P09917 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 3/20 0.35
AR P10275 2/20 0.34
RAB9A P51151 1/20 0.33
GHSR Q92847 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL16830418 0.88 KDM4E (0.37) KMT2APOLBTDP1ALDH1A1NPC1
SCHEMBL6992408 0.81 MEN1 (0.40) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL18161030 0.81 ALDH1A1 (0.35) MEN1KMT2AMAPTALOX5POLB
SCHEMBL16830424 0.79 KDM4E (0.31) KMT2AALDH1A1NPC1KDM4ERAB9A
SCHEMBL21854506 0.79 KDM4E (0.31) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL16830300 0.79 ALDH1A1 (0.40) KMT2ACYP2C9MAPTPOLBTDP1
SCHEMBL3967187 0.77 ALDH1A1 (0.50) MAPTPOLBALDH1A1NPC1KDM4E
SCHEMBL8640444 0.75 ALDH1A1 (0.47) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL18160993 0.75 CA2 (0.44) POLBTDP1
SCHEMBL28943331 0.75 NPC1 (0.55) MEN1KMT2AMAPTPOLBTDP1

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
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2008-12-04 US 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 CHRM2 2960/4885MEN1 165/4885KMT2A 2942/4885
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof NQO2, AQP3, AQP1 CHRM2 2748/4885MEN1 176/4885KMT2A 2782/4885

“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.