SCHEMBL2819600

SCHEMBL2819600

CCOC(=O)N=S(=O)(CC)c1ccc(N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CDK1 P06493 7/20 0.39
CDK2 P24941 7/20 0.39
KDR P35968 7/20 0.39
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 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
SCHEMBL2818052 0.87 CDK1 (0.43) POLBCDK1CDK2KDRLMNA
SCHEMBL2818494 0.80 HPGD (0.49) POLBCDK1CDK2KDRLMNA
SCHEMBL2818296 0.77 POLB (0.55) POLBCDK1CDK2KDRLMNA
SCHEMBL3932396 0.76 L3MBTL1 (0.51) POLBCDK1CDK2KDRLMNA
SCHEMBL3937049 0.74 POLB (0.42) POLBCDK1CDK2KDRLMNA
SCHEMBL3932916 0.71 POLB (0.40) POLBCDK1CDK2KDRLMNA
SCHEMBL13984890 0.69 L3MBTL1 (0.41) POLBKDRCYP1A2CYP3A4ALDH1A1
SCHEMBL2817944 0.69 POLB (0.55) POLBCDK1CDK2KDRLMNA
SCHEMBL14309236 0.69 POLB (0.55) POLBCDK1CDK2KDRLMNA
SCHEMBL7154586 0.68 CYP1A2 (0.54) LMNACYP1A2CYP3A4MAOAALDH1A1

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 7 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
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 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 (2 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 POLB 2096/4885CDK1 372/4885CDK2 64/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR POLB 483/4885CDK1 876/4885CDK2 664/4885

“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.