SCHEMBL2295322

SCHEMBL2295322

CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4cnccn4)nc3cc2CO)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.47
CBFB Q13951 2/20 0.44
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
METAP2 P50579 1/20 0.38

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
SCHEMBL1656653 0.90 GCK (0.60) GCKCBFB
SCHEMBL2290472 0.89 GCK (0.59) GCKCBFBCYP1A2CYP3A4CYP2C9
SCHEMBL2292896 0.88 GCK (0.46) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2645659 0.88 GCK (0.51) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2293097 0.86 GCK (0.42) GCKCBFBCYP1A2CYP3A4CYP2C9
SCHEMBL2291309 0.85 GCK (0.46) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2644571 0.85 GCK (0.47) GCKCBFBCYP1A2CYP3A4CYP2C9
SCHEMBL1660239 0.85 GCK (0.43) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2645131 0.84 GCK (0.45) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2645390 0.83 GCK (0.44) GCKCYP1A2CYP3A4CYP2C9CYP2C19

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-1905769-B1 HETEROCYCLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2017-03-29 EP disclosed
US-7994331-B2 Heterocycle-substituted benzimidazole derivative MSD K.K. (JP) 2011-08-09 US disclosed
US-20100087360-A1 Heterocycle-substituted benzimidazole derivative MSD K.K. (JP) 2010-04-08 US disclosed
EP-1905769-A1 HETEROCYCLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-02 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-20100087360-A1 Heterocycle-substituted benzimidazole derivative GCK, GCKR, HK1 GCK 1/4885CBFB 2061/4885CYP1A2 1264/4885

“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.