SCHEMBL2644522

SCHEMBL2644522

CS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4cnccn4)nc3cc2Oc2ccccc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.48
CBFB Q13951 1/20 0.45
DHODH Q02127 1/20 0.42
METAP2 P50579 1/20 0.41
SCD O00767 1/20 0.40

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
SCHEMBL2646272 0.91 GCK (0.56) GCKCBFBSCD
SCHEMBL2646084 0.91 GCK (0.56) GCKCBFBSCD
SCHEMBL2646884 0.90 GCK (0.43) GCKCBFBDHODHMETAP2
SCHEMBL2653649 0.89 GCK (0.51) GCKCBFBMETAP2
SCHEMBL2645745 0.88 GCK (0.53) GCKCBFBMETAP2SCD
SCHEMBL2648299 0.86 GCK (0.46) GCKCBFBDHODHSCD
SCHEMBL2647178 0.86 GCK (0.42) GCKCBFBDHODH
SCHEMBL2643892 0.86 GCK (0.49) GCKCBFBMETAP2SCD
SCHEMBL2644895 0.86 GCK (0.42) GCKCBFBDHODH
SCHEMBL2644586 0.86 GCK (0.42) GCKCBFBDHODH

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 1/4885CBFB 1550/4885DHODH 3952/4885

“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.