SCHEMBL6072306

SCHEMBL6072306

CC1(C)C(=O)Nc2cc(C#N)ccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.58
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
MAPK14 Q16539 3/20 0.41
ATAD2 Q6PL18 1/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL25944404 0.86 PGR (0.71) PGRPDK2PDK4ATAD2PDE3B
SCHEMBL30017975 0.79 PGR (0.41) PGR
SCHEMBL9865366 0.79 MAPT (0.52) PGR
SCHEMBL9376592 0.79 PGR (0.51) PGR
SCHEMBL31219860 0.78 PDK2 (0.45) PGRPDK2PDK4MAPK14ATAD2
SCHEMBL9840448 0.77 CYP26A1 (0.48) MAPK14
SCHEMBL16322106 0.77 BMPR1B (0.58) PGRMAPK14BMPR1BBMPR1ATGFBR1
SCHEMBL19241067 0.77 PGR (0.46) PGR
SCHEMBL9147351 0.76 RARB (0.61) PGR
SCHEMBL9376088 0.76 PGR (0.61) PGRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
WO-2015177110-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
EP-0497852-B1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-12-20 EP disclosed
US-5414088-A Anticoagluants BOEHRINGER MANNHEIM GMBH (DE) 1995-05-09 US disclosed
EP-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
EP-0497852-A1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM. BOEHRINGER MANNHEIM GMBH (DE) 1992-08-12 EP disclosed
EP-0496753-A1 2-BICYCLO-BENZIMIDAZOLES, PROCESS FOR THEIR PRODUCTION AND DRUGS CONTAINING SAID COMPOUNDS Roche Diagnostics GmbH (DE) 1992-08-05 EP disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed
WO-1991006545-A1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1991-05-16 WO disclosed
WO-1991004974-A1 2-BICYCLO-BENZIMIDAZOLES, PROCESS FOR THEIR PRODUCTION AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-04-18 WO disclosed
CN-1038640-A Two ring carboxamide, its preparation methods and contain the pharmaceutical composition of this material BOEHRINGER MANNHEIM GMBH (DE) 1990-01-10 CN disclosed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 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 (1 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-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A PGR 1967/4885PDK2 2955/4885PDK4 1916/4885

“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.