SCHEMBL3671909

SCHEMBL3671909

Cc1nccc(C#N)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CDC42BPA Q5VT25 2/20 0.36
CDC42BPB Q9Y5S2 2/20 0.36
LRRK2 Q5S007 5/20 0.36
CYP2A6 P11509 1/20 0.34
AR P10275 2/20 0.34
TGFBR1 P36897 1/20 0.33
NTRK1 P04629 3/20 0.33
PIM1 P11309 3/20 0.33
ACVR1 Q04771 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL15680079 0.80 ROCK2 (0.39) TSHRROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL17570530 0.80 TSHR (0.37) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL11285134 0.78 AR (0.36) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL22647247 0.78 NOS2 (0.54) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL11213696 0.78 NOS3 (0.39) TSHRROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL2838568 0.78 AAK1 (0.39) TSHRROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL2136972 0.78 NISCH (0.36) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL15758260 0.78 FFAR1 (0.42) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL1975863 0.78 TSHR (0.35) TSHRROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL1119092 0.78 FFAR1 (0.42) TSHRNISCHROCK2ROCK1CDC42BPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
US-11785841-B2 Compound, display panel and display apparatus WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-10-10 US disclosed
US-11758809-B2 Compound, display panel, and display apparatus Shanghai Tianma AM-OLED Co., Ltd. (CN) 2023-09-12 US disclosed
US-11751474-B2 Compound and organic light emitting display device WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-09-05 US disclosed
US-20180179181-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-06-28 US disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
CN-107073091-A Methods and compositions for attenuating exon skipping antiviral transfer vector immune responses 西莱克塔生物科技公司 2017-08-18 CN disclosed
US-9452998-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2016-09-27 US disclosed
WO-2016100157-A2 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
US-20160046605-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2016-02-18 US disclosed
EP-2231605-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-09-29 EP disclosed
WO-2010091209-A1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2010-08-12 WO disclosed
CN-100522964-C Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO disclosed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO disclosed
CN-101239981-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 WO disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed
CN-1068821-A CHROMAN DERIVATIVES NIPPON KAYAKU KK (JP) 1993-02-10 CN 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 (6 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-20160046605-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH TSHR 1987/4885NISCH 3585/4885ROCK2 127/4885
US-11785841-B2 Compound, display panel and display apparatus C1S, CDK20, CEP170 TSHR 3137/4885NISCH 480/4885ROCK2 4756/4885
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R TSHR 372/4885NISCH 982/4885ROCK2 3040/4885
US-20180179181-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH TSHR 1987/4885NISCH 3585/4885ROCK2 127/4885
US-11751474-B2 Compound and organic light emitting display device L1CAM, C1S, CCNE2 TSHR 2920/4885NISCH 1465/4885ROCK2 4627/4885
US-11758809-B2 Compound, display panel, and display apparatus C1S, C3AR1, DRD3 TSHR 3170/4885NISCH 1920/4885ROCK2 4105/4885

“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.