SCHEMBL2646695

SCHEMBL2646695

CS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2C2CCCN2C(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 8/20 0.47
▸ KMT2A Q03164 1/20 0.39
▸ RIPK1 Q13546 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ SLC9A3 P48764 2/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ BTK Q06187 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
SCHEMBL2645937 0.91 GCK (0.43) GCKKMT2ARIPK1HSD11B1GPR119
SCHEMBL2645563 0.89 GCK (0.44) GCKKMT2ARIPK1HSD11B1SLC9A3
SCHEMBL2645042 0.86 GCK (0.47) GCKKMT2AGPR119CYP3A4
SCHEMBL2646921 0.76 GCK (0.84) GCK
SCHEMBL2645354 0.76 GPR119 (0.48) GCKKMT2AGPR119CYP3A4
SCHEMBL2646489 0.75 GCK (0.69) GCK
SCHEMBL6049177 0.70 HSP90AA1 (0.41) GCKRIPK1HSD11B1MMP2MMP9
SCHEMBL7168397 0.69 HSP90AA1 (0.41) GCKRIPK1HSD11B1
SCHEMBL2646419 0.69 BTK (0.42) GCKKMT2ABTK
SCHEMBL21962365 0.68 RIPK1 (0.49) RIPK1

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 1/4885KMT2A 1946/4885RIPK1 2200/4885

“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.

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