SCHEMBL1804658

SCHEMBL1804658

Cc1nc(NC(=O)CCl)sc1-c1ccnc(Nc2ccc(F)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.64
CDK4 P11802 13/20 0.58
PLK1 P53350 3/20 0.58
CCNA2 P20248 1/20 0.58
AURKA O14965 8/20 0.55
CDK9 P50750 8/20 0.55
AURKB Q96GD4 7/20 0.55
CDK7 P50613 6/20 0.55
CDK1 P06493 6/20 0.55
WEE1 P30291 2/20 0.52
ALK Q9UM73 2/20 0.52
CHEK1 O14757 1/20 0.51
DAPK3 O43293 1/20 0.51
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
ABL1 P00519 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51

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
SCHEMBL6208539 0.92 CDK2 (0.64) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2075966 0.91 CDK2 (0.65) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2073788 0.90 CDK2 (0.62) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2076445 0.88 CDK2 (0.66) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2076789 0.84 CDK2 (0.62) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL4797854 0.83 CDK2 (0.67) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2075902 0.83 CDK2 (0.68) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2073696 0.83 CDK2 (0.61) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2074206 0.83 CDK2 (0.69) CDK2CDK4PLK1AURKACDK9
SCHEMBL2076031 0.83 MEN1 (0.59) CDK2CDK4CCNA2AURKACDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4681880-B2 2011-05-11 JP claimed
CN-100500663-C N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl) -n-phenylamines as antiproliferative compounds CYCLACEL LTD (GB) 2009-06-17 CN claimed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US claimed
US-7388015-B2 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-06-17 US claimed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP claimed
EP-1430051-B1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LTD (GB) 2006-12-27 EP claimed
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2006-09-07 US claimed
CN-1711258-A Pyrimidine compounds CYCLACEL LTD (GB) 2005-12-21 CN claimed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US claimed
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP claimed
CN-1617870-A N- (4- (4-methylthiazol-5-yl) pyrimidin-2-yl) -N-anilines as antiproliferative compounds CYCLACEL LTD (GB) 2005-05-18 CN claimed
US-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2004-12-23 US claimed
EP-1430051-A1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS Cyclacel Limited (GB) 2004-06-23 EP claimed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO claimed
WO-2003029248-A1 N-(4-(4-METHYLTHIAZOL-5-YL) PYRIMIDIN-2-YL) -N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LIMITED (GB) 2003-04-10 WO claimed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
WO-2003029248-A1 N-(4-(4-METHYLTHIAZOL-5-YL) PYRIMIDIN-2-YL) -N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LIMITED (GB) 2003-04-10 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 (4 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-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CDKL4 CDK2 2/4885CDK4 1/4885PLK1 53/4885
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CCNI CDK2 2/4885CDK4 1/4885PLK1 54/4885
US-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885CDK4 7/4885PLK1 85/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885CDK4 7/4885PLK1 85/4885

“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.