SCHEMBL2073699

SCHEMBL2073699

COc1ccc(Nc2nccc(-c3sc(NC(=O)CCBr)nc3C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.53
CDK4 P11802 10/20 0.53
PLK1 P53350 3/20 0.53
CCNA2 P20248 1/20 0.53
AURKA O14965 8/20 0.51
CDK9 P50750 8/20 0.51
CDK7 P50613 7/20 0.51
AURKB Q96GD4 7/20 0.51
CDK1 P06493 6/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
FLT3 P36888 2/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
WEE1 P30291 2/20 0.48
ALK Q9UM73 2/20 0.48
CHEK1 O14757 1/20 0.48

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
SCHEMBL2073788 0.90 CDK2 (0.62) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2076331 0.89 MEN1 (0.58) CDK2CDK4CCNA2AURKACDK9
SCHEMBL2073696 0.89 CDK2 (0.61) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2075808 0.85 CDK2 (0.51) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2075857 0.84 CDK2 (0.56) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL6159400 0.81 CDK2 (0.75) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2076789 0.80 CDK2 (0.62) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL6208539 0.80 CDK2 (0.64) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL1804658 0.80 CDK2 (0.64) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2075427 0.79 CDK2 (0.61) CDK2CDK4PLK1CCNA2AURKA

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
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
CN-1711258-A Pyrimidine compounds CYCLACEL LTD (GB) 2005-12-21 CN disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US disclosed
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 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 (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-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.