SCHEMBL2818622

SCHEMBL2818622

CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(SC)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 20/20 0.70
CDK2 P24941 20/20 0.70
KDR P35968 17/20 0.70

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
SCHEMBL13022041 1.00 CDK1 (0.70) CDK1CDK2KDR
SCHEMBL12390726 0.89 CDK2 (0.57) CDK1CDK2KDR
SCHEMBL1416531 0.89 CDK2 (0.57) CDK1CDK2KDR
SCHEMBL13944388 0.83 CDK2 (0.78) CDK1CDK2KDR
SCHEMBL3934409 0.83 CDK1 (1.00) CDK1CDK2KDR
SCHEMBL3929323 0.83 CDK1 (1.00) CDK1CDK2KDR
SCHEMBL13022036 0.82 CDK2 (0.54) CDK1CDK2KDR
SCHEMBL2820448 0.82 CDK2 (0.54) CDK1CDK2KDR
SCHEMBL3937430 0.81 CDK1 (1.00) CDK1CDK2KDR
SCHEMBL13890224 0.80 CDK1 (0.47) CDK1CDK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170839-B1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER IP GMBH (DE) 2015-09-09 EP disclosed
US-8642611-B2 Alkynylpyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8524724-B2 2013-09-03 US disclosed
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
US-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-16 US disclosed
EP-2022785-A1 Alkynylpyrimidines as Tie2 kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-11 EP disclosed
EP-1963282-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 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 (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-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 CDK1 372/4885CDK2 64/4885KDR 1/4885

“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.