SCHEMBL4484946

SCHEMBL4484946

CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 1.00
CDK7 P50613 16/20 1.00
CCNE1 P24864 15/20 1.00
CDK1 P06493 15/20 1.00
CCNH P51946 13/20 1.00
CCNB1 P14635 12/20 1.00
CDK4 P11802 12/20 1.00
CCND1 P24385 12/20 1.00
MAPK1 P28482 6/20 1.00
CDK9 P50750 5/20 0.85
CDK5 Q00535 5/20 0.85
CSNK1D P48730 2/20 0.73
CLK2 P49760 2/20 0.73
CSNK1G2 P78368 2/20 0.73
DYRK1A Q13627 2/20 0.73
CLK4 Q9HAZ1 2/20 0.73
CSNK1G1 Q9HCP0 2/20 0.73
TP53 P04637 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73

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
SCHEMBL4487926 1.00 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL13633351 0.92 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL6246011 0.92 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL6244174 0.92 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL6248828 0.92 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL3879278 0.92 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL4564826 0.91 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL4487335 0.91 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL4564827 0.91 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH
SCHEMBL4490773 0.91 CDK2 (1.00) CDK2CDK7CCNE1CDK1CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612079-B2 2,6,9-substituted purine derivatives and their use in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-11-03 US disclosed
US-7612079-B2 2,6,9-substituted purine derivatives and their use in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-11-03 US disclosed
US-7612079-B2 2,6,9-substituted purine derivatives and their use in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-11-03 US disclosed
WO-2007110649-A2 PROCESS FOR THE PREPARATION OF 2,6,9-TRISUBSTITUTED PURINES CYCLACEL LIMITED (GB) 2007-10-04 WO disclosed
EP-1399446-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2005-08-03 EP disclosed
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-01-13 US 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-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 CDK2 40/4885CDK7 93/4885CCNE1 390/4885

“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.