SCHEMBL2645751

SCHEMBL2645751

N#Cc1cccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Oc2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.57
METAP2 P50579 3/20 0.56
METAP1 P53582 3/20 0.56
CYP19A1 P11511 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CBFB Q13951 5/20 0.44
RUNX1 Q01196 1/20 0.43
KIT P10721 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL2645613 0.91 METAP2 (0.57) GCKMETAP2METAP1CYP19A1SMN1; SMN2
SCHEMBL2645464 0.89 NPC1 (0.60) GCKMETAP2METAP1SMN1; SMN2NPC1
SCHEMBL2645041 0.87 SMN1; SMN2 (0.49) GCKMETAP2METAP1CYP19A1SMN1; SMN2
SCHEMBL2645395 0.87 GCK (0.57) GCKMETAP2METAP1SMN1; SMN2NPC1
SCHEMBL2646351 0.84 CHEK2 (0.55) GCKMETAP2METAP1SMN1; SMN2NPC1
SCHEMBL2646783 0.79 METAP2 (0.54) GCKMETAP2METAP1CYP19A1SMN1; SMN2
SCHEMBL2645862 0.79 CBFB (0.51) GCKMETAP2METAP1SMN1; SMN2NPC1
SCHEMBL2647202 0.79 CBFB (0.58) GCKMETAP2METAP1SMN1; SMN2NPC1
SCHEMBL2646514 0.79 CHEK2 (0.60) GCKSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2644746 0.79 GCK (0.49) GCKMETAP2METAP1SMN1; SMN2NPC1

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 1/4885METAP2 2249/4885METAP1 2033/4885

“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.