SCHEMBL2646549

SCHEMBL2646549

CCS(=O)(=O)c1ccc(Oc2ccc(N)cc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.36
MAPK14 Q16539 2/20 0.36
TRPA1 O75762 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
BRD4 O60885 2/20 0.34
PIK3CD O00329 1/20 0.34
SCN9A Q15858 3/20 0.33
MET P08581 1/20 0.33
CACNA1C Q13936 1/20 0.33
SOS1 Q07889 1/20 0.33
LMNA P02545 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
SCHEMBL2646277 0.87 MAPK14 (0.37) GCKMAPK14CA12CA1CA2
SCHEMBL2644608 0.85 TRPA1 (0.41) MAPK14TRPA1BRD4CACNA1C
SCHEMBL2645796 0.81 MAPT (0.39) GCKMEN1KMT2A
SCHEMBL2645285 0.79 GCK (0.35) GCKCACNA1C
SCHEMBL2644208 0.78 MAPT (0.43) GCKLMNAMEN1KMT2AGAA
SCHEMBL2644356 0.78 CACNA1C (0.39) GCKTRPA1CA12CA1CA2
SCHEMBL1406561 0.77 EGFR (0.40) MAPK14TRPA1MEN1KMT2AMPO
SCHEMBL2647005 0.77 EGLN1 (0.39) GCKTRPA1SCN9ACACNA1C
SCHEMBL3542510 0.75 CDK8 (0.32) GCKSCN9AMPOTPOEPX
SCHEMBL3542130 0.75 MPO (0.35) GCKLMNAMEN1KMT2AMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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 (1 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 GCK 1/4885MAPK14 977/4885TRPA1 4353/4885

“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.