SCHEMBL2646783

SCHEMBL2646783

c1cncc(Oc2cc3nc(-c4cnccn4)[nH]c3cc2Oc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
STAT1 P42224 1/20 0.47
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
CHEK2 O96017 1/20 0.44
GCK P35557 1/20 0.41
METAP1 P53582 2/20 0.41
FHIT P49789 1/20 0.41
CBFB Q13951 6/20 0.40
RUNX1 Q01196 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL2645464 0.89 NPC1 (0.60) METAP2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2643892 0.88 GCK (0.49) METAP2CHEK2GCKCBFB
SCHEMBL2645041 0.81 SMN1; SMN2 (0.49) METAP2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2644746 0.81 GCK (0.49) METAP2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2645613 0.80 METAP2 (0.57) METAP2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2645659 0.80 GCK (0.51) METAP2GCK
SCHEMBL2647202 0.79 CBFB (0.58) METAP2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2645751 0.79 GCK (0.57) METAP2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2645862 0.79 CBFB (0.51) METAP2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2645586 0.79 GCK (0.59) NPC1RAB9AGCKCBFBRUNX1

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 METAP2 2249/4885SMN1; SMN2 832/4885NPC1 748/4885

“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.