SCHEMBL946433

SCHEMBL946433

NC(=O)c1ccncc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.61
IKBKB O14920 2/20 0.55
CHUK O15111 1/20 0.55
IKBKE Q14164 1/20 0.55
PKMYT1 Q99640 1/20 0.55
CDC7 O00311 2/20 0.51
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
SIRT3 Q9NTG7 1/20 0.49
CDK2 P24941 2/20 0.48
SLC22A12 Q96S37 1/20 0.48
CCNA2 P20248 1/20 0.48
CCNA1 P78396 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
RPS6KA3 P51812 2/20 0.47
MAP2 P11137 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47

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
SCHEMBL23846485 0.86 BCAT2 (0.61) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL28042617 0.85 TDP1 (0.52) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL2749796 0.85 KDM4C (0.53) TDP1SLC22A12KDM4ERPS6KA3KDM4C
SCHEMBL30040297 0.84 SLC22A12 (0.50) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL9847043 0.82 KDM4C (0.56) MKNK1MKNK2TDP1SLC22A12KDM4E
SCHEMBL27961704 0.82 SLC22A12 (0.51) TDP1SLC22A12KDM4EHTTRPS6KA3
SCHEMBL29187728 0.82 RPS6KA3 (0.44) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL1758349 0.79 SLC22A12 (0.53) IKBKBCHUKCDC7MKNK1MKNK2
SCHEMBL29368286 0.79 SLC22A12 (0.53) IKBKBCHUKTDP1SIRT3SLC22A12
SCHEMBL31227976 0.79 BCAT2 (0.67) BCAT2MKNK1MKNK2SIRT3HTT

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 21 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
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-01-02 US 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
US-11504364-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2022-11-22 US disclosed
CN-111499613-A N-formamide derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2020-08-07 CN disclosed
CN-108026056-A As the 1,3,4- oxadiazole amide derivative compounds of 6 inhibitor of histone deacetylase and the pharmaceutical composition containing it 株式会社钟根堂 2018-05-11 CN disclosed
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 US disclosed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 US disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 US disclosed
WO-2013138393-A1 METHOD OF TREATING OPHTHALMIC CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-19 WO disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
EP-1366016-A2 PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
WO-2002066418-A2 PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR GLAXO GROUP LIMITED (GB) 2002-08-29 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 (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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 BCAT2 4331/4885IKBKB 169/4885CHUK 82/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 BCAT2 4331/4885IKBKB 169/4885CHUK 82/4885
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CGAS, TDP1, CYP11B2 BCAT2 1348/4885IKBKB 2616/4885CHUK 2244/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 BCAT2 4270/4885IKBKB 149/4885CHUK 77/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 BCAT2 4331/4885IKBKB 169/4885CHUK 82/4885
US-11504364-B2 Inhibitors of fibroblast activation protein FAP, FIBP, FRS2 BCAT2 2851/4885IKBKB 380/4885CHUK 50/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 BCAT2 4255/4885IKBKB 163/4885CHUK 78/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 BCAT2 4331/4885IKBKB 169/4885CHUK 82/4885

“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.