SCHEMBL4158683

SCHEMBL4158683

COC(=O)c1cc(S(C)(=O)=O)c2nc(Nc3ccc(Oc4ccncc4)cc3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAF1 P04049 9/20 0.41
BRAF P15056 5/20 0.40
KDR P35968 2/20 0.39
METAP2 P50579 1/20 0.39
CHEK2 O96017 1/20 0.37
ATM Q13315 1/20 0.37
PARP1 P09874 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HDAC11 Q96DB2 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
PDE10A Q9Y233 1/20 0.35
RIPK2 O43353 1/20 0.35
TEK Q02763 1/20 0.35

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
SCHEMBL4798990 0.91 RAF1 (0.41) RAF1BRAFKDRCHEK2CSNK2A1
SCHEMBL5734205 0.85 RAF1 (0.41) RAF1BRAFKDRHDAC11CSNK1A1
SCHEMBL4173612 0.81 RAF1 (0.55) USP2TSHRMAPK1KMT2ASMN1; SMN2
SCHEMBL4166869 0.72 POLB (0.61) RAF1BRAFKDRCHEK2CSNK2A1
SCHEMBL4172140 0.71 KDR (0.43) RAF1BRAFKDRCSNK1A1CSNK1D
SCHEMBL5733440 0.70 KDR (0.56) RAF1BRAFKDRCSNK1A1CSNK1D
SCHEMBL4161807 0.69 KDR (0.52) RAF1BRAFKDRCSNK1A1CSNK1D
SCHEMBL4166878 0.69 MGAM (0.49) SMN1; SMN2RAF1KDRCSNK1A1CSNK1D
SCHEMBL5733146 0.68 KDR (0.58) RAF1BRAFKDRCSNK1A1CSNK1D
SCHEMBL4161466 0.68 KDR (0.53) RAF1BRAFKDRCSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US claimed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US claimed
EP-1675849-A1 BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GmbH (DE) 2006-07-05 EP claimed
WO-2005042520-A1 BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2005-05-12 WO claimed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US disclosed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US disclosed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US disclosed
US-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
EP-1675849-A1 BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GmbH (DE) 2006-07-05 EP disclosed
WO-2005042520-A1 BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2005-05-12 WO 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-20090082404-A1 BENZIMIDAZOLES TIE1, KDR, FLT1 USP2 1030/4885TSHR 1822/4885MAPK1 1136/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 USP2 523/4885TSHR 1960/4885MAPK1 937/4885

“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.