SCHEMBL2605772

SCHEMBL2605772

CCc1cncnc1CC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL16822027 0.85 AOC3 (0.38) CYP17A1NOS3NOS1NOS2CYP11B1
SCHEMBL14290733 0.85 ATM (0.33) CYP17A1NOS3NOS1NOS2
SCHEMBL14291273 0.85 CYP17A1 (0.31) CYP17A1CYP11B1CYP11B2
SCHEMBL11151411 0.79
SCHEMBL12514815 0.79
SCHEMBL27289769 0.78
SCHEMBL27272293 0.78
SCHEMBL9009276 0.77 CYP11B2 (0.45) CYP11B2
SCHEMBL25596754 0.77 CYP11B2 (0.40) CYP11B1CYP11B2
SCHEMBL1132721 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468967-B1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC (CA) 2023-07-26 EP disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 EP disclosed
US-11276825-B2 Organic molecules for use in organic devices CYNORA GMBH (DE) 2022-03-15 US disclosed
US-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-17 US disclosed
US-10947214-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
EP-3279193-B1 COMPOUNDS COMPRISING A PHTHALIMIDE GROUP AND CARBAZOLE OR ITS ANALOGUES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-08 EP disclosed
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-08 US disclosed
WO-2018024723-A1 PHTHALIMIDE AND CARBAZOLE OR ANALOGS THEREOF CONTAINING COMPOUNDS FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 WO disclosed
EP-3279193-A1 COMPOUNDS COMPRISING PHTHALIMIDE AND CARBAZOLE OR ITS ANALOGUES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-07 EP disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US 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 (11 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 CYP17A1 59/4885NOS3 3017/4885NOS1 3389/4885
US-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES CHRM1, C1S, DNMT3L CYP17A1 1820/4885NOS3 95/4885NOS1 389/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CYP17A1 1984/4885NOS3 2135/4885NOS1 2266/4885
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP17A1 2655/4885NOS3 3775/4885NOS1 3551/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 CYP17A1 4593/4885NOS3 3310/4885NOS1 2349/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 CYP17A1 2740/4885NOS3 2857/4885NOS1 3510/4885
US-10947214-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CYP17A1 2655/4885NOS3 3775/4885NOS1 3551/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CYP17A1 2655/4885NOS3 3775/4885NOS1 3551/4885
US-11276825-B2 Organic molecules for use in organic devices AOX1, OR10J3, L1CAM CYP17A1 940/4885NOS3 40/4885NOS1 20/4885
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 CYP17A1 521/4885NOS3 93/4885NOS1 79/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A CYP17A1 4401/4885NOS3 4454/4885NOS1 4511/4885

“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.