SCHEMBL831748

SCHEMBL831748

CC(C)(C)OC(=O)C1CNc2nc3ccc(NC(=O)c4cc5nc(C(F)(F)F)ccc5n4Cc4ccccc4)cc3n21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 11/20 0.38
GNRHR P30968 2/20 0.37
ACSS2 Q9NR19 1/20 0.35
RPS6KA3 P51812 2/20 0.34
ROCK1 Q13464 1/20 0.34
ACKR3 P25106 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
RPS6KA6 Q9UK32 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL831749 0.80 ECE1 (0.36) ECE1GNRHRROCK1ACKR3
SCHEMBL832945 0.80 ROCK1 (0.38) ECE1RPS6KA3ROCK1ACKR3PPARG
SCHEMBL832947 0.76 ALDH1A1 (0.41) ECE1ROCK1ACKR3PPARG
SCHEMBL833860 0.71 ALDH1A1 (0.47)
SCHEMBL832946 0.71 ROCK1 (0.38) ECE1ROCK1ACKR3PPARG
SCHEMBL833601 0.70 ECE1 (0.42) ECE1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1100386 0.70 TRPV1 (0.43) ECE1
SCHEMBL1100072 0.69 DGAT1 (0.46)
SCHEMBL832880 0.69 BRD4 (0.40)
SCHEMBL3114090 0.69 CCR2 (0.56)

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 ECE1 2537/4885GNRHR 1408/4885ACSS2 501/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ECE1 2453/4885GNRHR 1457/4885ACSS2 475/4885

“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.