SCHEMBL832440

SCHEMBL832440

CCOC(=O)c1cc2cc(F)cnc2n1Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
F10 P00742 2/20 0.42
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL831340 0.90 NOD2 (0.53) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL2545450 0.86 NOD2 (0.44) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL2815850 0.86 MAPT (0.49) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL297540 0.84 CCR2 (0.46) GRIN1GRIN2BTLR7MEN1KMT2A
SCHEMBL2539595 0.83 NOD2 (0.55) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL832502 0.82 NOD2 (0.57) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL833013 0.77 NOD2 (0.50) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL1093477 0.76 MAPT (0.46) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL2815373 0.75 ATM (0.58) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL3096637 0.75 MAPT (0.52) NOD2NOD1MAPTALDH1A1HTT

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 6 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-8044066-B2 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2011-10-25 US disclosed
US-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-12-03 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 (3 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 NOD2 1126/4885NOD1 396/4885MAPT 3000/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS NOD2 978/4885NOD1 313/4885MAPT 3347/4885
US-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof PYCR1, ATP5PD, NQO2 NOD2 1230/4885NOD1 1337/4885MAPT 3376/4885

“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.