SCHEMBL997872

SCHEMBL997872

O=C(Nc1ncccn1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
JAK2 O60674 1/20 0.58
TYK2 P29597 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
F2 P00734 1/20 0.58
F12 P00748 1/20 0.58
PLAU P00749 1/20 0.58
ADORA1 P30542 1/20 0.56
KDR P35968 1/20 0.56
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL29238957 0.98 RAB9A (0.57) RAB9ANPC1JAK2TYK2SIRT2
SCHEMBL18906078 0.88 RAB9A (0.55) RAB9ANPC1SIRT2F2F12
SCHEMBL10720732 0.85 RAB9A (0.71) RAB9ANPC1MEN1KMT2APKM
SCHEMBL4542768 0.84 BCAT2 (0.58) RAB9ANPC1JAK2TYK2F2
SCHEMBL17675284 0.84 RAB9A (0.55) RAB9ANPC1SIRT2MEN1KMT2A
SCHEMBL18906050 0.83 PKM (0.59) RAB9ANPC1SIRT2KCNK3KCNK9
SCHEMBL29744073 0.83 F2 (0.58) RAB9ANPC1F2F12PLAU
SCHEMBL20641503 0.83 F2 (0.58) RAB9ANPC1F2F12PLAU
SCHEMBL3299661 0.83 ADORA1 (0.70) RAB9ANPC1JAK2TYK2F2
SCHEMBL18398718 0.82 LMNA (0.58) RAB9ANPC1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP claimed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO claimed
CN-103073902-B Polymer-modified asphalt and preparation method thereof CHINA NAT OFFSHORE OIL CORP 2015-01-28 CN claimed
EP-2734522-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP claimed
CN-103073902-A Polymer-modified asphalt and preparation method thereof CHINA NAT OFFSHORE OIL CORP 2013-05-01 CN claimed
WO-2013010868-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS MSD OSS B.V. (NL) 2013-01-24 WO claimed
CN-115043841-B Preparation and application of heterocyclic compound serving as BTK inhibitor 药雅科技(上海)有限公司 2024-04-09 CN disclosed
CN-116606246-A Silver complex antibacterial agent with aromatic amide structure-containing nitrogen heterocyclic derivative as ligand, and preparation method and application thereof 烟台哈尔滨工程大学研究院 2023-08-18 CN disclosed
CN-115043841-A Preparation and application of heterocyclic compound as BTK inhibitor 药雅科技(上海)有限公司 2022-09-13 CN disclosed
CN-114276270-A Synthesis method of compound with amido bond 湖北文理学院 2022-04-05 CN disclosed
CN-109053558-B Synthesis method of N-heterocyclic amide derivative 贵州大学 2022-02-18 CN disclosed
CN-113773264-A Pyrimidine amide compound applied to herbicide and preparation method thereof 池州飞昊达化工有限公司 2021-12-10 CN disclosed
CN-107950527-B Safener and composition for resisting amide herbicide phytotoxicity of grains 湖南省农业生物技术研究中心 2020-11-17 CN disclosed
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
WO-2003010153-A1 N-ALKYL-N-PHENYLHYDROXYLAMINE COMPOUNDS CONTAINING METAL CHELATING GROUPS, THEIR PREPARATION AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-02-06 WO disclosed
WO-1999029670-A2 AMINOCARBONYLTETRALIN AND DIHYDRONAPHTALENE DERIVATES AS THROMBIN INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-17 WO disclosed
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 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 (2 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-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 RAB9A 2344/4885NPC1 4394/4885JAK2 30/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 RAB9A 2344/4885NPC1 4394/4885JAK2 30/4885

“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.