SCHEMBL833601

SCHEMBL833601

CC1CNc2nc3ccc(NC(=O)c4cc5cc(F)ccc5n4Cc4cccc(F)c4)cc3n21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 9/20 0.42
F10 P00742 3/20 0.41
RPS6KA3 P51812 2/20 0.40
RPS6KA2 Q15349 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
RPS6KA6 Q9UK32 1/20 0.40
MAOB P27338 1/20 0.39
ABCB1 P08183 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
CNR1 P21554 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
SCHEMBL3122827 0.92 RPS6KA2 (0.43) ECE1F10RPS6KA2MAOBABCB1
Hydrochloric Acid SCHEMBL831895 0.92 RPS6KA2 (0.42) ECE1F10RPS6KA2MAOBABCB1
SCHEMBL832105 0.80 ECE1 (0.41) ECE1F10RPS6KA3MAOBABCB1
SCHEMBL3148861 0.80 MAOB (0.50) ECE1F10MAOBABCB1PTGDR2
SCHEMBL3158981 0.79 ECE1 (0.47) ECE1F10MAOBPTGDR2CNR1
SCHEMBL3150006 0.78 MAOB (0.49) ECE1F10MAOB
SCHEMBL3153583 0.78 ECE1 (0.48) ECE1F10MAOBABCB1PTGDR2
SCHEMBL831603 0.78 ECE1 (0.41) ECE1F10RPS6KA3MAOBABCB1
SCHEMBL833415 0.78 MAOB (0.45) ECE1F10MAOBABCB1PTGDR2
SCHEMBL3158442 0.77 TP53 (0.48) ECE1F10MAOB

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.