SCHEMBL231896

SCHEMBL231896

NC(=O)c1ncccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.56
MKNK2 Q9HBH9 2/20 0.56
BCAT2 O15382 2/20 0.53
ADORA2A P29274 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
CHEK2 O96017 2/20 0.45
MAP2K3 P46734 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 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
SCHEMBL31145789 0.89 MAP3K8 (0.49) MKNK1MKNK2BCAT2ADORA2ACHEK2
SCHEMBL30292682 0.87 MKNK1 (0.54) MKNK1MKNK2CHEK2MAP2K3IKBKB
SCHEMBL12469057 0.87 MKNK1 (0.54) MKNK1MKNK2CHEK2MAP2K3IKBKB
SCHEMBL4560363 0.86 MKNK1 (0.50) MKNK1MKNK2KDM4EALDH1A1CYP3A4
SCHEMBL30165669 0.86 MKNK1 (0.56) MKNK1MKNK2CHEK2ALDH1A1CYP3A4
SCHEMBL29594571 0.86 MKNK1 (0.56) MKNK1MKNK2CHEK2ALDH1A1CYP3A4
SCHEMBL28960474 0.86 MKNK1 (0.61) MKNK1MKNK2BCAT2KDM4ECHEK2
SCHEMBL30039764 0.86 MKNK1 (0.61) MKNK1MKNK2BCAT2KDM4ECHEK2
SCHEMBL2572631 0.86 MKNK1 (0.56) MKNK1MKNK2CHEK2ALDH1A1CYP3A4
SCHEMBL28226910 0.86 MKNK1 (0.76) MKNK1MKNK2CHEK2IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375549-A Method and system for synthesizing amide compound from nitrile compound 深圳湾实验室 2023-07-04 CN claimed
CN-106866521-A Phenylglycine alkyl replaces analog derivative and its synthetic method 南京理工大学 2017-06-20 CN claimed
CN-102203067-A Hedgehog pathway modulators IRM LLC 2011-09-28 CN claimed
US-20250263407-A1 Compounds STEP PHARMA S.A.S. (FR) 2025-08-21 US disclosed
EP-3582762-B1 NANOPARTICLES FOR CONTROLLED RELEASE OF SORAFENIB AND SORAFENIB DERIVATIVES DISTRETTO TECNOLOGICO SICILIA MICRO E NANO SISTEMI S C A R L (IT) 2025-04-16 EP disclosed
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-01-02 US disclosed
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
CN-116375549-A Method and system for synthesizing amide compound from nitrile compound 深圳湾实验室 2023-07-04 CN disclosed
CN-116348115-A Combination of antibody-drug conjugate and PARP1 selective inhibitor 阿斯利康(英国)有限公司 2023-06-27 CN disclosed
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 US disclosed
US-11505547-B2 Compounds STEP PHARMA S.A.S. (FR) 2022-11-22 US disclosed
CN-102574778-A Novel biphenyl and phenyl-pyridine amides HOFFMANN LA ROCHE 2012-07-11 CN disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
EP-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative ASTELLAS PHARMA INC. (JP) 2004-09-30 US disclosed
EP-1396487-A1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 EP 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 (8 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-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 MKNK1 4163/4885MKNK2 4412/4885BCAT2 870/4885
US-20250263407-A1 Compounds CYP1A1, UGT1A1, CYP1A2 MKNK1 2655/4885MKNK2 2513/4885BCAT2 530/4885
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CGAS, TDP1, CYP11B2 MKNK1 4364/4885MKNK2 4423/4885BCAT2 1348/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 MKNK1 86/4885MKNK2 92/4885BCAT2 4270/4885
US-11505547-B2 Compounds UGT1A1, CYP1A1, CYP1B1 MKNK1 2780/4885MKNK2 2655/4885BCAT2 536/4885
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative PDE5A, PDE4A, PDE3B MKNK1 4756/4885MKNK2 4651/4885BCAT2 3784/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 MKNK1 2327/4885MKNK2 2636/4885BCAT2 3612/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 MKNK1 103/4885MKNK2 114/4885BCAT2 4207/4885

“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.