SCHEMBL2073428

SCHEMBL2073428

CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C)nc4C)n3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 1.00
CDK9 P50750 12/20 1.00
AURKA O14965 9/20 1.00
AURKB Q96GD4 9/20 1.00
CDK4 P11802 9/20 1.00
CDK7 P50613 8/20 1.00
CDK1 P06493 7/20 1.00
WEE1 P30291 4/20 0.81
ALK Q9UM73 3/20 0.81
FLT3 P36888 7/20 0.77
CHEK1 O14757 3/20 0.77
DAPK3 O43293 3/20 0.77
JAK2 O60674 3/20 0.77
PRKD3 O94806 3/20 0.77
PAK4 O96013 3/20 0.77
ABL1 P00519 3/20 0.77
FYN P06241 3/20 0.77
CSF1R P07333 3/20 0.77
RET P07949 3/20 0.77
MET P08581 3/20 0.77

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
SCHEMBL27664900 0.92 CDK2 (0.85) CDK2CDK9AURKAAURKBCDK4
SCHEMBL4154271 0.90 CDK2 (1.00) CDK2CDK9AURKAAURKBCDK4
SCHEMBL2075827 0.90 CDK2 (1.00) CDK2CDK9AURKAAURKBCDK4
SCHEMBL4172443 0.89 CDK2 (0.82) CDK2CDK9AURKAAURKBCDK4
SCHEMBL4166851 0.89 CDK2 (0.80) CDK2CDK9AURKAAURKBCDK4
SCHEMBL4166282 0.89 CDK2 (0.80) CDK2CDK9AURKAAURKBCDK4
SCHEMBL4160950 0.88 CDK9 (0.83) CDK2CDK9AURKAAURKBCDK4
SCHEMBL30777173 0.88 CDK4 (0.78) CDK2CDK9AURKAAURKBCDK4
SCHEMBL20452169 0.88 CDK4 (0.78) CDK2CDK9AURKAAURKBCDK4
SCHEMBL13852372 0.87 CDK2 (0.77) CDK2CDK9AURKAAURKBCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US claimed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP claimed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP claimed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US 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
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-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 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
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 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
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP disclosed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US disclosed
WO-2005052147-A2 METHOD OF SCREENING FOR A MODULATOR OF CDK4 CYCLACEL LIMITED (GB) 2005-06-09 WO 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 1/4885CDK9 5/4885AURKA 123/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885CDK9 5/4885AURKA 123/4885

“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.