SCHEMBL833602

SCHEMBL833602

CC1CN=C2Nc3ccc(NC(=O)c4cc5cc(F)ccc5n4Cc4cccc(F)c4)cc3N21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 10/20 0.41
F10 P00742 3/20 0.40
ABCB1 P08183 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
ROCK1 Q13464 1/20 0.37
MAOB P27338 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
SCHEMBL3154450 0.77 GRIN1 (0.45) ECE1F10ABCB1ROCK1
SCHEMBL833601 0.75 ECE1 (0.42) ECE1F10ABCB1PTGDR2MAOB
SCHEMBL3153583 0.75 ECE1 (0.48) ECE1F10ABCB1PTGDR2MAOB
SCHEMBL3153567 0.75 ECE1 (0.48) ECE1F10ABCB1PTGDR2MAOB
SCHEMBL4145769 0.74 ECE1 (0.51) ECE1F10ABCB1PTGDR2MAOB
SCHEMBL3149401 0.74 TRPV1 (0.47) ECE1F10ABCB1
SCHEMBL3122827 0.74 RPS6KA2 (0.43) ECE1F10ABCB1PTGDR2MAOB
SCHEMBL3154874 0.74 F10 (0.46) ECE1F10ABCB1PTGDR2ROCK1
SCHEMBL11968305 0.74 KCNQ3 (0.48) ECE1F10ABCB1MAOB
SCHEMBL3162955 0.74 ABCB1 (0.46) ECE1F10ABCB1PTGDR2

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 3033/4885ABCB1 60/4885
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 3105/4885ABCB1 45/4885

“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.