SCHEMBL725497

SCHEMBL725497

NC(=O)c1ccn(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
SCN9A Q15858 1/20 0.52
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
GAA P10253 1/20 0.46
ELOVL1 Q9BW60 5/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL6531865 0.90 SCN9A (0.51) CYP2C9SCN9AMAPTHSD17B10TSHR
SCHEMBL5962999 0.86 SCN9A (0.51) CYP2C9SCN9AGAAALDH1A1KMT2A
SCHEMBL6532407 0.86 SCN9A (0.63) CYP2C9SCN9AHTTPARP1PARP2
SCHEMBL27944386 0.85 PARP1 (0.46) CYP2C9SCN9AMAPTHSD17B10TSHR
SCHEMBL1063920 0.85 CYP2C9 (0.61) CYP2C9MAPTHSD17B10TSHRHTT
SCHEMBL27790040 0.85 CYP2C9 (0.56) CYP2C9MAPTHSD17B10TSHRHTT
SCHEMBL27787455 0.84 SCN9A (0.47) CYP2C9SCN9AMAPTHSD17B10TSHR
SCHEMBL14247709 0.84 SCN9A (0.42) CYP2C9SCN9AMAPTHSD17B10TSHR
SCHEMBL30078274 0.82 ALDH1A1 (0.50) SCN9AMAPTHSD17B10TSHRHTT
SCHEMBL168402 0.82 KMT2A (0.54) SCN9AMAPTL3MBTL1KDM4EALDH1A1

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
CN-1072210-C 1-phenyl-3-pyrazolecarboxamides active on neurotensin receptors SANOFI SYNTHELABO (FR) 2001-10-03 CN claimed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP claimed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO claimed
JP-11171867-A None JP disclosed
EP-4568654-A1 USE OF CO-PROCESSED EXCIPIENTS IN CONTINUOUS MANUFACTURING OF SOLID DOSAGE FORMS F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
EP-4430032-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-09-18 EP disclosed
WO-2024033460-A1 USE OF CO-PROCESSED EXCIPIENTS IN CONTINUOUS MANUFACTURING OF SOLID DOSAGE FORMS F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 US disclosed
CN-117362276-A Tropomyosin receptor kinase A inhibitor and preparation method and application thereof 复旦大学 2024-01-09 CN disclosed
WO-2023192665-A2 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed
CN-1184469-A 1-phenyl-3-pyrazolecarboxamides active on neurotensin receptors SANOFI SA (FR) 1998-06-10 CN disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP disclosed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed