SCHEMBL378335

SCHEMBL378335

Cc1cc(C)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 6/20 0.57
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
TERT O14746 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL29120365 0.84 MAPT (0.67) MAPTALDH1A1NPSR1TDP1KDM4E
SCHEMBL31522203 0.84 SLC34A1 (0.47) SLC34A1MAPTALDH1A1NPSR1TDP1
SCHEMBL14353427 0.83 CYP1A2 (0.62) SLC34A1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL18865774 0.83 SLC34A1 (0.43) SLC34A1MAPTALDH1A1NPSR1TDP1
SCHEMBL15362173 0.82 MAPT (0.57) SLC34A1MAPTALDH1A1NPSR1TDP1
SCHEMBL18622981 0.81 KDM4E (0.53) SLC34A1MAPTALDH1A1NPSR1TDP1
SCHEMBL18865766 0.80 FLT3 (0.43) SLC34A1MAPTALDH1A1NPSR1TDP1
SCHEMBL18865866 0.79 PDPK1 (0.53) SLC34A1MAPTALDH1A1KDM4EHPGD
SCHEMBL18865550 0.79 SLC34A1 (0.44) SLC34A1MAPTALDH1A1NPSR1TDP1
SCHEMBL31254585 0.79 PTGS2 (0.54) SLC34A1MAPTALDH1A1NPSR1TDP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
WO-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 WO disclosed
CN-109071520-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-06-14 CN disclosed
CN-114292234-A Preparation method of pyrazole derivative 南方海洋科学与工程广东省实验室(湛江) 2022-04-08 CN disclosed
EP-3433252-B1 MICROBICIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-10-27 EP disclosed
US-11083196-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-08-10 US disclosed
EP-3433252-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2019-01-30 EP disclosed
WO-2017162868-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-28 WO disclosed
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2017-05-25 US disclosed
EP-2233469-B1 Method for coupling halogen-substituted aromatic substances with trialkylsilyl-substituted heteroatom-containing organic compounds ZYLUM BETEILIGUNGSGMBH & CO PATENTE II KG (DE) 2012-07-18 EP disclosed
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2012-06-07 US disclosed
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2012-06-07 US disclosed
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2012-06-07 US disclosed
EP-2408741-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2012-01-25 EP disclosed
EP-2233469-A1 Method for coupling halogen-substituted aromatic substances with trialkylsilyl-substituted heteroatom-containing organic compounds Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2010-09-29 EP disclosed
WO-2010106078-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-09-23 WO disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 SLC34A1 1375/4885MAPT 3590/4885ALDH1A1 1105/4885
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS TYR, ALK, TTL SLC34A1 3399/4885MAPT 1726/4885ALDH1A1 2734/4885
US-11083196-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 SLC34A1 2070/4885MAPT 4790/4885ALDH1A1 476/4885
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 SLC34A1 3821/4885MAPT 3373/4885ALDH1A1 633/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 SLC34A1 3821/4885MAPT 3373/4885ALDH1A1 633/4885

“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.