SCHEMBL829861

SCHEMBL829861

O=C(Nc1ccn2c(c1)nc1ccccc12)c1cc2cc(F)ccc2n1Cc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 10/20 0.41
CCR2 P41597 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
BRD4 O60885 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 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
SCHEMBL832765 0.90 ECE1 (0.44) ECE1CCR2PTGDR2ROCK1MEN1
SCHEMBL829860 0.88 SMN1; SMN2 (0.43) ECE1CCR2PTGDR2BRD4ROCK1
SCHEMBL831541 0.82 CCR2 (0.40) ECE1CCR2PTGDR2ALDH1A1MEN1
SCHEMBL832764 0.78 ECE1 (0.46) ECE1CCR2PTGDR2SMN1; SMN2F10
SCHEMBL15361984 0.78 MAOB (0.48) ECE1CCR2PTGDR2MEN1KMT2A
SCHEMBL3126129 0.77 MAOB (0.48) ECE1CCR2PTGDR2MAPTF10
SCHEMBL975576 0.77 ECE1 (0.47) ECE1CCR2PTGDR2F10
Hydrochloric Acid SCHEMBL3576467 0.77 MAOB (0.47) ECE1CCR2PTGDR2MEN1KMT2A
SCHEMBL974067 0.77 ECE1 (0.47) ECE1CCR2PTGDR2ROCK1F10
Hydrochloric Acid SCHEMBL831780 0.77 MAOB (0.47) ECE1CCR2PTGDR2MAPTF10

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 2537/4885CCR2 1776/4885PTGDR2 1624/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ECE1 2453/4885CCR2 1745/4885PTGDR2 1636/4885

“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.