SCHEMBL46327

SCHEMBL46327

Cc1cnc2c(ccn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
APP P05067 2/20 0.43
CYP1A2 P05177 1/20 0.42
PIK3CB P42338 1/20 0.42
CHRNA7 P36544 2/20 0.40
KDM4E B2RXH2 2/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
NOS3 P29474 1/20 0.33

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
SCHEMBL21886187 0.78 CCR1 (0.45) CCR1CCR5CCR8CYP1A2PIK3CB
SCHEMBL13538215 0.78 CCR1 (0.45) CCR1CCR5CCR8CYP1A2PIK3CB
SCHEMBL858999 0.78 CCR1 (0.45) CCR1CCR5CCR8CYP1A2PIK3CB
SCHEMBL1269052 0.78 APP (0.43) APPPIK3CBCHRNA7PIK3CAMTOR
SCHEMBL3481120 0.78 PIK3CB (0.49) APPPIK3CBCHRNA7PIK3CAMTOR
SCHEMBL14883466 0.78 APP (0.46) APPPIK3CBCHRNA7KDM4EPIK3CA
SCHEMBL857319 0.78 HSD17B10 (0.44) APPPIK3CBCHRNA7KDM4EPIK3CA
SCHEMBL21886203 0.78 CCR1 (0.45) CCR1CCR5CCR8CYP1A2PIK3CB
SCHEMBL21704227 0.76 CCR1 (0.42) CCR1CCR5CCR8CYP1A2KDM4E
SCHEMBL11922142 0.76 APP (0.41) APPPIK3CBCHRNA7PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
EP-3628044-B1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2023-11-22 EP disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2022-07-14 US disclosed
US-20220088043-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF DNA-DAMAGING AGENTS AND DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2022-03-24 US disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-3950685-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF Guangzhou Baiyunshan Pharmaceutical Holdings Co., Ltd. Baiyunshan Pharmaceutical General Factory (CN) 2022-02-09 EP disclosed
US-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
WO-2009112678-A2 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed
WO-2008132162-A1 3- (SULPHONYLAMINO) -PHENYL-2 -HYDROXY-ETHYLAMINO DERIVATIVES USEFUL AS BETA-AGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-06 WO disclosed
US-20080171734-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171734-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008050101-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK ASTRAZENECA AB (SE) 2008-05-02 WO disclosed
WO-2007007040-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2007-01-18 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR1 4485/4885CCR5 4295/4885CCR8 4585/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CCR1 1131/4885CCR5 1116/4885CCR8 2481/4885
US-20080171734-A1 CHEMICAL COMPOUNDS HK1, GCKR, GCK CCR1 1063/4885CCR5 2024/4885CCR8 3384/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CCR1 585/4885CCR5 966/4885CCR8 62/4885
US-20220088043-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF DNA-DAMAGING AGENTS AND DNA-PK INHIBITORS TOP2B, TOP2A, TOP1 CCR1 3931/4885CCR5 4118/4885CCR8 3468/4885
US-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ZYX, XDH, ZFX CCR1 605/4885CCR5 1519/4885CCR8 895/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 CCR1 1575/4885CCR5 2595/4885CCR8 2969/4885
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF RET, BRAF, RAF1 CCR1 2539/4885CCR5 1392/4885CCR8 1940/4885

“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.