SCHEMBL997865

SCHEMBL997865

NC(=O)c1ccccc1-c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.64
BCAT2 O15382 1/20 0.58
CSNK1A1 P48729 1/20 0.54
TYRO3 Q06418 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
PARP1 P09874 2/20 0.48
TGFBR1 P36897 1/20 0.48
DHODH Q02127 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
NUDT1 P36639 1/20 0.48
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL31249988 1.00 GRM5 (0.64) GRM5BCAT2CSNK1A1TYRO3DYRK1B
SCHEMBL31249984 1.00 GRM5 (0.64) GRM5BCAT2CSNK1A1TYRO3DYRK1B
SCHEMBL29506339 1.00 GRM5 (0.64) GRM5BCAT2CSNK1A1TYRO3DYRK1B
Hydrochloric Acid SCHEMBL28843225 0.98 GRM5 (0.62) GRM5BCAT2CSNK1A1TYRO3DYRK1B
SCHEMBL29184190 0.98 GRM5 (0.62) GRM5BCAT2CSNK1A1TYRO3DYRK1B
Hydrochloric Acid SCHEMBL30105351 0.98 GRM5 (0.62) GRM5BCAT2CSNK1A1TYRO3DYRK1B
SCHEMBL28555590 0.93 GRM5 (0.61) GRM5BCAT2CSNK1A1TYRO3DYRK1B
Maleic Acid SCHEMBL25297964 0.91 GRM5 (0.56) GRM5BCAT2CSNK1A1TYRO3DYRK1B
Pyrrole SCHEMBL28244114 0.91 GRM5 (0.56) GRM5BCAT2CSNK1A1TYRO3DYRK1B
SCHEMBL2012719 0.85 GRM5 (0.53) GRM5BCAT2CSNK1A1TYRO3DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023046117-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF 3H PHARMACEUTICALS CO., LTD. (CN) 2023-03-30 WO claimed
CN-115215794-A N-2-pyridylbenzimine derivative and preparation method and application thereof 江苏海洋大学 2022-10-21 CN claimed
CN-109608454-B Novel method for synthesizing 6H-pyridine [1,2-c ] quinazoline-6-ketone compound 河南师范大学 2022-09-13 CN claimed
CN-111362966-B Bicyclic heterocyclic derivatives as IRAK4 inhibitors 奥列基因发现技术有限公司 2022-03-11 CN claimed
CN-106831285-B Method for converting amide and urea into ester 湖北科技学院 2020-08-11 CN claimed
US-10612019-B2 Methods and compositions for weed control MONSANTO TECHNOLOGY LLC (US) 2020-04-07 US claimed
US-10609930-B2 Methods and compositions for weed control MONSANTO TECHNOLOGY LLC (US) 2020-04-07 US claimed
US-10568328-B2 Methods and compositions for weed control MONSANTO TECHNOLOGY LLC (US) 2020-02-25 US claimed
EP-3601264-A1 BRUTON'S TYROSINE KINASE INHIBITORS Liao, Xibin (US) 2020-02-05 EP claimed
EP-3604535-A2 METHODS AND COMPOSITIONS FOR WEED CONTROL Monsanto Technology LLC (US) 2020-02-05 EP claimed
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO claimed
EP-2734522-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP claimed
CN-103608350-A Triazolopyridine compounds BAYER IP GMBH 2014-02-26 CN claimed
WO-2013010868-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS MSD OSS B.V. (NL) 2013-01-24 WO claimed
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 claimed
CN-101400657-A Polycyclic cinnamamide derivative ESAI R & D MAN CO LTD (JP) 2009-04-01 CN claimed
EP-1140087-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP claimed
EP-1140087-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035454-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
WO-1993016053-A1 NOVEL BISTETRAZOL DERIVATIVES HAVING AN ANTIALLERGIC AND CYTOPROTECTIVE ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1993-08-19 WO claimed

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-10609930-B2 Methods and compositions for weed control AS3MT, NOTUM, POLR1C GRM5 2092/4885BCAT2 4101/4885CSNK1A1 4518/4885
US-10612019-B2 Methods and compositions for weed control NOTUM, LOXL3, CXXC5 GRM5 313/4885BCAT2 2856/4885CSNK1A1 2584/4885
US-10568328-B2 Methods and compositions for weed control CYC1, PRDX5, CYCS GRM5 1876/4885BCAT2 587/4885CSNK1A1 3108/4885

“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.