SCHEMBL436939

SCHEMBL436939

Nc1ccnc2ccc(Br)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.61
NCF1 P14598 2/20 0.53
SLC22A12 Q96S37 5/20 0.49
SOS2 Q07890 1/20 0.47
HTT P42858 4/20 0.44
CHEK1 O14757 1/20 0.44
PIM1 P11309 1/20 0.44
AKT1 P31749 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
GAK O14976 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
STK16 O75716 1/20 0.42
ABL1 P00519 1/20 0.42
ACVR1 Q04771 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
COQ8A Q8NI60 1/20 0.42

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
2-Aminopyridine SCHEMBL28096419 0.87 NCF1 (0.50) NR4A2NCF1SLC22A12SOS2HTT
SCHEMBL435803 0.84 NR4A2 (0.61) NR4A2NCF1SLC22A12SOS2HTT
SCHEMBL31285386 0.84 NR4A2 (0.61) NR4A2NCF1SLC22A12SOS2HTT
SCHEMBL14690611 0.79 SLC22A12 (0.51) NCF1SLC22A12HTTCHEK1PIM1
SCHEMBL29896761 0.79 SLC22A12 (0.51) NCF1SLC22A12HTTCHEK1PIM1
SCHEMBL4823097 0.79 NR4A2 (0.66) NR4A2NCF1SLC22A12SOS2HTT
SCHEMBL30210360 0.79 NR4A2 (0.66) NR4A2NCF1SLC22A12SOS2HTT
Bromide SCHEMBL5989384 0.78 NR4A2 (0.63) NR4A2NCF1SLC22A12SOS2HTT
SCHEMBL24150113 0.76 NR4A2 (0.61) NR4A2NCF1SOS2HTTABL1
SCHEMBL729828 0.76 SLC22A12 (0.49) NCF1SLC22A12HTTCHEK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110756172-B Inorganic salt hazardous waste recycling treatment process 内蒙古中泰汇金环保科技有限公司 2022-06-07 CN claimed
CN-108250232-B Refining method of bis (diethyl) aminosilane 浙江博瑞电子科技有限公司 2021-03-16 CN claimed
CN-110756172-A Inorganic salt hazardous waste recycling treatment process 内蒙古中泰汇金环保科技有限公司 2020-02-07 CN claimed
CN-108250232-A It is a kind of double(Diethyl)The process for purification of amino silane 浙江博瑞电子科技有限公司 2018-07-06 CN claimed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US claimed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-11926632-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
CN-116462630-A Quinoline low-temperature curing agent, polyimide and photosensitive resin 深圳先进电子材料国际创新研究院 2023-07-21 CN disclosed
EP-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
EP-1794145-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
WO-2006032851-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 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 (5 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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 NR4A2 753/4885NCF1 1100/4885SLC22A12 3791/4885
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS NR4A2 2014/4885NCF1 374/4885SLC22A12 3985/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 NR4A2 2887/4885NCF1 1687/4885SLC22A12 3531/4885
US-11926632-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS NR4A2 2014/4885NCF1 374/4885SLC22A12 3985/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB NR4A2 3868/4885NCF1 1224/4885SLC22A12 3927/4885

“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.