SCHEMBL2646258

SCHEMBL2646258

CCS(=O)(=O)c1ccc(Oc2cc(Oc3cc(F)ccc3C#N)c3nc(-c4cnccn4)[nH]c3c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
GCK P35557 1/20 0.35
DHODH Q02127 2/20 0.33
SLC22A12 Q96S37 16/20 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
SCHEMBL2645944 0.96 SLC22A12 (0.35) CYP19A1GCKDHODHSLC22A12
SCHEMBL2645416 0.92 DHODH (0.41) CYP19A1GCKDHODH
SCHEMBL2644099 0.91 GCK (0.36) GCKDHODH
SCHEMBL2643771 0.88 GCK (0.34) CYP19A1GCKDHODHSLC22A12
SCHEMBL2645048 0.87 GCK (0.37) GCKDHODH
SCHEMBL2646807 0.85 GCK (0.36) GCKDHODH
SCHEMBL2646359 0.85 CBFB (0.43) GCKDHODH
SCHEMBL2643868 0.84 GCK (0.37) GCKDHODH
SCHEMBL2645487 0.84 GCK (0.37) GCKDHODH
SCHEMBL2646069 0.84 DHODH (0.42) CYP19A1GCKDHODHSLC22A12

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 CYP19A1 3688/4885GCK 1/4885DHODH 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.