SCHEMBL2645809

SCHEMBL2645809

[O]c1ccc(-c2nn[nH]n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.75
RPA1 P27694 1/20 0.64
ATM Q13315 1/20 0.64
XDH P47989 9/20 0.59
TP53 P04637 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 2/20 0.53
HPGDS O60760 1/20 0.52
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL9984638 0.89 ADH5 (0.95) ADH5RPA1ATMXDHTP53
SCHEMBL16645309 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL14347139 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL2645811 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL1248039 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL2667739 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL467316 0.78 ATM (1.00) ADH5RPA1ATMXDHTP53
SCHEMBL1777649 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL1249470 0.78 XDH (0.69) ADH5RPA1ATMXDHTP53
SCHEMBL5891983 0.77 ADH5 (0.79) ADH5RPA1ATMXDHTP53

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 ADH5 810/4885RPA1 3914/4885ATM 896/4885

“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.