SCHEMBL4798853

SCHEMBL4798853

COc1ccc(Nc2nccc(-c3sc(N)nc3C)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.74
CDK4 P11802 12/20 0.74
PLK1 P53350 3/20 0.74
CCNE1 P24864 4/20 0.71
MEN1 O00255 3/20 0.64
NPC1 O15118 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
AURKA O14965 7/20 0.64
CDK9 P50750 7/20 0.64
CDK1 P06493 6/20 0.64
AURKB Q96GD4 6/20 0.64
CDK5 Q00535 3/20 0.64
CCNT1 O60563 2/20 0.64
ABL1 P00519 2/20 0.64

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
SCHEMBL4159111 0.89 CDK2 (0.66) CDK2CDK4PLK1CCNE1MEN1
SCHEMBL4797417 0.88 CDK2 (0.60) CDK2CDK4PLK1CCNE1MEN1
SCHEMBL6156623 0.88 CDK2 (0.75) CDK2CDK4PLK1CCNE1MEN1
SCHEMBL2285781 0.86 CDK2 (0.67) CDK2CDK4PLK1CCNE1MEN1
SCHEMBL2076190 0.85 CDK2 (0.78) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL2073680 0.85 CDK2 (0.78) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL4799684 0.85 CDK2 (0.78) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL4797791 0.85 CDK2 (0.78) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL5052445 0.85 CDK2 (1.00) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL5781649 0.85 CDK2 (0.67) CDK2CDK4PLK1CCNE1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US claimed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 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-2004043467-A1 ANTI-VIRAL 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-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 US disclosed
US-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 US disclosed
US-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 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
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US disclosed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 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-2004043467-A1 ANTI-VIRAL 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 (3 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-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 CDK2 205/4885CDK4 477/4885PLK1 1343/4885

“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.