SCHEMBL997870

SCHEMBL997870

NC(=O)c1ccccc1-c1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.57
TYRO3 Q06418 1/20 0.57
DYRK1B Q9Y463 1/20 0.57
BCAT2 O15382 1/20 0.57
GRM5 P41594 2/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NUDT1 P36639 1/20 0.50
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL31227695 1.00 CSNK1A1 (0.57) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL38656817 0.84 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL9592605 0.83 PARP1 (0.50) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL1535154 0.83 PARP1 (0.50) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL21777090 0.82 CSNK1A1 (0.41) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL465563 0.82 KDM4E (0.55) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL32691840 0.81 CSNK1A1 (0.48) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL997865 0.81 GRM5 (0.64) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL31249984 0.81 GRM5 (0.64) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL31249988 0.81 GRM5 (0.64) CSNK1A1TYRO3DYRK1BBCAT2GRM5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP claimed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO claimed
US-20260085056-A1 OX1 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2026-03-26 US disclosed
US-12331029-B2 Orexin 1 receptor antagonists NXERA PHARMA UK LIMITED (GB) 2025-06-17 US disclosed
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP disclosed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO disclosed
WO-2015055994-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2015-04-23 WO disclosed
CN-104203935-A 1,2- pyridazine, 1,6- pyridazine or pyrimidine - benzamide derivatives as GPBAR1 modulators HOFFMANN LA ROCHE 2014-12-10 CN disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
WO-2003010153-A1 N-ALKYL-N-PHENYLHYDROXYLAMINE COMPOUNDS CONTAINING METAL CHELATING GROUPS, THEIR PREPARATION AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-02-06 WO 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 (4 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-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 CSNK1A1 61/4885TYRO3 37/4885DYRK1B 664/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 CSNK1A1 61/4885TYRO3 37/4885DYRK1B 664/4885
US-20260085056-A1 OX1 RECEPTOR ANTAGONISTS CNR1, CNR2, OPRM1 CSNK1A1 939/4885TYRO3 655/4885DYRK1B 986/4885
US-12331029-B2 Orexin 1 receptor antagonists HCRTR1, HCRTR2, NPY1R CSNK1A1 1756/4885TYRO3 1358/4885DYRK1B 1399/4885

“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.