SCHEMBL832947

SCHEMBL832947

O=C(Nc1ccc2c(c1)nc1n2CCN1)c1cc2nc(C(F)(F)F)ccc2n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPK1 P28482 3/20 0.41
USP2 O75604 3/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.39
ROCK1 Q13464 1/20 0.39
ECE1 P42892 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL832945 0.95 ROCK1 (0.38) ALDH1A1MAPTKDM4EMAPK1USP2
SCHEMBL833860 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMAPK1USP2
SCHEMBL830309 0.79 MAPK1 (0.46) ALDH1A1MAPTKDM4EMAPK1USP2
SCHEMBL1100072 0.78 DGAT1 (0.46) MAPTKDM4ESMN1; SMN2CYP3A4CYP2C9
SCHEMBL832946 0.77 ROCK1 (0.38) ALDH1A1MAPTKDM4EMAPK1USP2
SCHEMBL3241480 0.77 MAPT (0.40) ALDH1A1MAPTKDM4EMAPK1USP2
SCHEMBL831748 0.76 ECE1 (0.38) ROCK1ECE1ACKR3PPARG
Trifluoroacetic Acid SCHEMBL1100840 0.76 DGAT1 (0.45) MAPTKDM4ESMN1; SMN2CYP3A4CYP2C9
SCHEMBL3114090 0.75 CCR2 (0.56)
SCHEMBL1100386 0.75 TRPV1 (0.43) ECE1

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
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
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 ALDH1A1 453/4885MAPT 3000/4885KDM4E 1876/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ALDH1A1 484/4885MAPT 3347/4885KDM4E 1797/4885

“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.