SCHEMBL1198985

SCHEMBL1198985

O=C(Nc1ccccn1)c1cc[nH]n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
KDM4E B2RXH2 2/20 0.55
TP53 P04637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
GRM5 P41594 4/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 2/20 0.51
F2 P00734 1/20 0.51
CYP1A2 P05177 1/20 0.50

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
SCHEMBL3422874 0.83 GRM4 (0.51) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL9384187 0.81 NPC1 (0.72) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL16517047 0.78 PYGL (0.40) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL4192471 0.77 L3MBTL1 (0.58) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL4178487 0.77 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL19748 0.77 KMT2A (0.61) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL1735163 0.77 ADORA2A (0.46) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5906988 0.76 KDR (0.54) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL23212117 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL6003795 0.76 RAB9A (0.58) NPC1RAB9ASMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 CN claimed
EP-3141545-A1 POLYSUBSTITUTED PYRIDYLPYRAZOLE AMIDE AND PREPARATION METHOD AND USE THEREOF Zhaoqing Zhenge Biological Technology Co., Ltd. (CN) 2017-03-15 EP claimed
EP-2295425-B1 1-SUBSTITUTED PYRIDYL-PYRAZOLYL AMIDE COMPOUND AND USES THEREOF SHENYANG SCIENCREAT CHEMICALS CO LTD (CN) 2016-09-07 EP claimed
US-20150322037-A1 POLYSUBSTITUTED PYRIDYL PYRAZOLECARBOXAMIDE AND PREPARATION METHOD AND USE THEREOF ZHAOQING ZHENGE BIOLOGICAL TECHNOLOGY CO., LTD 2015-11-12 US claimed
EP-3941912-B1 PESTICIDALLY ACTIVE AZOLE AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-12-13 EP disclosed
EP-3632911-B1 METHOD FOR PREPARING ISOXAZINONE COMPOUND AND APPLICATION THEREOF ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD (CN) 2023-08-09 EP disclosed
EP-4086255-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2022-11-09 EP disclosed
EP-3519411-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2022-06-22 EP disclosed
EP-3519411-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2022-06-22 EP disclosed
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 CN disclosed
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 CN disclosed
CN-113929680-A Heterocyclic compounds and their use in the prevention or treatment of bacterial infections 拜欧蒂姆公司 2022-01-14 CN disclosed
EP-2560966-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN Verseon Corporation (US) 2013-02-27 EP disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US disclosed
WO-2012174362-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2012-12-20 WO disclosed
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 WO disclosed
US-20110046186-A1 1-Substituted Pyridyl-Pyrazolyl Amide Compounds and Uses Thereof SHENYANG SCIENCREAT CHEMICALS CO., LTD (CN) 2011-02-24 US disclosed
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 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-20110046186-A1 1-Substituted Pyridyl-Pyrazolyl Amide Compounds and Uses Thereof AADAC, DDT, PIR NPC1 2855/4885RAB9A 757/4885SMN1; SMN2 2690/4885
US-20150322037-A1 POLYSUBSTITUTED PYRIDYL PYRAZOLECARBOXAMIDE AND PREPARATION METHOD AND USE THEREOF PFAS, CYP3A5, PNPO NPC1 3484/4885RAB9A 1860/4885SMN1; SMN2 2679/4885
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B NPC1 3112/4885RAB9A 3284/4885SMN1; SMN2 4299/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 NPC1 3015/4885RAB9A 1958/4885SMN1; SMN2 3708/4885

“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.