SCHEMBL831603

SCHEMBL831603

O=C(Nc1ccc2nc3n(c2c1)CCNC3)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.41
F10 P00742 1/20 0.41
RPS6KA3 P51812 1/20 0.40
ABCB1 P08183 1/20 0.40
MAOB P27338 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
CCR2 P41597 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PPARG P37231 1/20 0.37
ROCK1 Q13464 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL832105 0.86 ECE1 (0.41) ECE1F10RPS6KA3ABCB1MAOB
SCHEMBL833715 0.83 RAB9A (0.47) ECE1F10ABCB1RAB9AKDM4E
SCHEMBL829962 0.82 RAB9A (0.50) ECE1F10ABCB1RAB9AKDM4E
SCHEMBL830515 0.81 ALDH1A1 (0.42) ECE1F10ABCB1KDM4EALDH1A1
SCHEMBL3148861 0.79 MAOB (0.50) ECE1F10ABCB1MAOBPTGDR2
SCHEMBL3122827 0.78 RPS6KA2 (0.43) ECE1F10ABCB1MAOBPTGDR2
SCHEMBL3158981 0.78 ECE1 (0.47) ECE1F10MAOBPTGDR2CCR2
SCHEMBL3158442 0.78 TP53 (0.48) ECE1F10MAOBCCR2RAB9A
SCHEMBL833601 0.78 ECE1 (0.42) ECE1F10RPS6KA3ABCB1MAOB
SCHEMBL3150006 0.78 MAOB (0.49) ECE1F10MAOBCCR2RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US 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 (2 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 ECE1 2537/4885F10 3033/4885RPS6KA3 1136/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ECE1 2453/4885F10 3105/4885RPS6KA3 1206/4885

“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.