SCHEMBL3576499

SCHEMBL3576499

OCc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
MAP2K4 P45985 2/20 0.43
PARP1 P09874 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
FGFR1 P11362 1/20 0.42
CDK8 P49336 1/20 0.41
BRAF P15056 1/20 0.41
ACMSD Q8TDX5 1/20 0.39
FYN P06241 2/20 0.38
NPY5R Q15761 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PIK3CA P42336 1/20 0.37
ENPP2 Q13822 1/20 0.37
CHEK1 O14757 1/20 0.36
MGLL Q99685 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL1557945 0.83 PIM1 (0.34) PRKCI
SCHEMBL17548483 0.83 CYP4F2 (0.38) PRKCIPARP1
SCHEMBL5950532 0.83 PIM1 (0.31) PRKCI
SCHEMBL2233428 0.83 TSHR (0.34) PRKCIMAP2K4
SCHEMBL2056403 0.83 NOTUM (0.47) MAP2K4FGFR1MGLL
SCHEMBL6740112 0.83 NOTUM (0.34) PRKCIPARP1BRAF
SCHEMBL7810819 0.83 CDK8 (0.41) FGFR1CDK8ENPP2CHEK1
SCHEMBL6963004 0.82 MAOA (0.41)
SCHEMBL6958334 0.82 HRH3 (0.41) ACMSD
Hydrochloric Acid SCHEMBL7808326 0.82 CDK8 (0.40) FGFR1CDK8ENPP2CHEK1

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
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
EP-3714012-B1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2023-01-11 EP disclosed
CN-107922787-B Use of Chemical Mechanical Polishing (CMP) compositions for polishing cobalt-containing substrates 巴斯夫欧洲公司 2021-06-29 CN disclosed
US-20210102093-A1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT COMPRISING SUBSTRATES BASF SE (DE) 2021-04-08 US disclosed
US-10899945-B2 Use of a chemical mechanical polishing (CMP) composition for polishing of cobalt comprising substrates BASF SE (DE) 2021-01-26 US disclosed
EP-3714012-A1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2020-09-30 EP disclosed
US-20200299547-A1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2020-09-24 US disclosed
CN-111356747-A Chemical mechanical polishing composition 巴斯夫欧洲公司 2020-06-30 CN disclosed
EP-3334794-B1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT COMPRISING SUBSTRATES BASF SE (DE) 2020-02-19 EP disclosed
WO-2019101555-A1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2019-05-31 WO disclosed
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
EP-2099788-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
WO-2008064788-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-05 WO disclosed
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 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 (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-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF QDPR, TPMT, PTGIS PRKCI 1080/4885MAP2K4 2498/4885PARP1 2923/4885

“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.