SCHEMBL4795676

SCHEMBL4795676

COc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.78
CDK4 P11802 14/20 0.78
PLK1 P53350 4/20 0.57
CDK1 P06493 6/20 0.54
CDK7 P50613 6/20 0.54
CDK9 P50750 6/20 0.54
AURKB Q96GD4 4/20 0.54
AURKA O14965 3/20 0.54
CCNA2 P20248 5/20 0.54
CCNT1 O60563 4/20 0.54
CCNB1 P14635 4/20 0.54
CCNH P51946 4/20 0.54
CCNA1 P78396 3/20 0.54
KDR P35968 1/20 0.53
PTK2 Q05397 1/20 0.53
SYK P43405 1/20 0.52
CCNB2 O95067 1/20 0.52
CCNE2 O96020 1/20 0.52
ABL1 P00519 1/20 0.52
CCND1 P24385 1/20 0.52

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
SCHEMBL14562071 0.88 PIK3CG (0.64) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2285895 0.87 CDK2 (1.00) CDK2CDK4PLK1CDK1CDK7
SCHEMBL29644961 0.87 CDK2 (1.00) CDK2CDK4PLK1CDK1CDK7
SCHEMBL4802162 0.86 CDK2 (0.76) CDK2CDK4PLK1CDK1CDK7
SCHEMBL4801528 0.85 CDK2 (0.79) CDK2CDK4PLK1CDK1CDK7
SCHEMBL14163090 0.85 CDK2 (0.56) CDK2CDK4PLK1CDK1CDK7
SCHEMBL2281331 0.84 CDK2 (1.00) CDK2CDK4PLK1CDK1CDK7
SCHEMBL2283778 0.83 CDK2 (0.76) CDK2CDK4PLK1CDK1CDK7
SCHEMBL4616130 0.82 CDK2 (0.80) CDK2CDK4PLK1CDK1CDK7
SCHEMBL6362971 0.82 CDK2 (0.79) CDK2CDK4PLK1CDK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760082-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as anti-proliferative compounds Cyclacel Limited (GB) 2007-03-07 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-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-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-7388015-B2 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-06-17 US disclosed
US-7388015-B2 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-06-17 US disclosed
US-7388015-B2 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-06-17 US disclosed
EP-1760082-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as anti-proliferative compounds Cyclacel Limited (GB) 2007-03-07 EP disclosed
US-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2004-12-23 US disclosed
EP-1430051-A1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS Cyclacel Limited (GB) 2004-06-23 EP 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 (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-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

“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.