SCHEMBL946431

SCHEMBL946431

NC(=O)c1ccnc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.55
KDM5C P41229 2/20 0.54
KDM4B O94953 1/20 0.54
KDM5B Q9UGL1 1/20 0.54
KAT6A Q92794 2/20 0.54
KDM4E B2RXH2 1/20 0.53
KDM6B O15054 1/20 0.53
KDM4A O75164 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
KDM3A Q9Y4C1 1/20 0.53
MAP4K4 O95819 1/20 0.53
PIM1 P11309 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
PARP1 P09874 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL1758188 0.97 MAP4K4 (0.57) ASIC3KDM5CKDM4BKDM5BKAT6A
SCHEMBL1758494 0.87 KDM4C (0.51) KDM5CKDM4BKDM5BKAT6AKDM4E
SCHEMBL1758360 0.86 PARP10 (0.57) KDM5CKDM4BKDM5BMAP4K4CHEK2
SCHEMBL1592852 0.86 KDM4B (0.58) KDM5CKDM4BKDM5BKDM6BKDM4A
SCHEMBL29541336 0.85 KDM4C (0.71) ASIC3KDM5CKDM4BKDM5BKAT6A
SCHEMBL648273 0.85 KDM4C (0.71) ASIC3KDM5CKDM4BKDM5BKAT6A
SCHEMBL30527146 0.85 PIM1 (0.69) KDM5CKDM4BKDM5BPIM1FYN
SCHEMBL29175671 0.85 PIM1 (0.69) KDM5CKDM4BKDM5BPIM1FYN
SCHEMBL7038517 0.85 KDM5C (0.69) KDM5CKDM4BKDM5BKDM4EKDM6B
SCHEMBL29932888 0.84 MAP4K4 (0.55) KDM5CKDM4BKDM5BKAT6AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203067-A Hedgehog pathway modulators IRM LLC 2011-09-28 CN claimed
US-6605720-B1 Process for making spirolactone compounds MERCK & CO., INC. 2003-08-12 US claimed
US-20030144515-A1 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS MERCK SHARP & DOHME LLC 2003-07-31 US claimed
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-01-02 US disclosed
CN-111801322-B Kinase inhibitors for the treatment of central and peripheral nervous system disorders 迈阿密大学 2024-03-15 CN disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 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
CN-104066718-B Substituted benzene compounds EPIZYME股份有限公司 2017-08-29 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-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
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 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
US-6605720-B1 Process for making spirolactone compounds MERCK & CO., INC. 2003-08-12 US disclosed
US-20030144515-A1 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS MERCK SHARP & DOHME LLC 2003-07-31 US 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-20030144515-A1 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS HSD17B7, PKD1, REN ASIC3 1372/4885KDM5C 2252/4885KDM4B 2846/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ASIC3 2634/4885KDM5C 3134/4885KDM4B 3352/4885
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CGAS, TDP1, CYP11B2 ASIC3 3367/4885KDM5C 4632/4885KDM4B 4499/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 ASIC3 2719/4885KDM5C 3035/4885KDM4B 3218/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX ASIC3 3481/4885KDM5C 1310/4885KDM4B 1682/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 ASIC3 4850/4885KDM5C 549/4885KDM4B 826/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 ASIC3 2363/4885KDM5C 3111/4885KDM4B 3250/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ASIC3 2634/4885KDM5C 3134/4885KDM4B 3352/4885

“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.