SCHEMBL3301216

SCHEMBL3301216

CC[C@H](Nc1nc(NCc2cccc(C)n2)c2ncn(C(C)C)c2n1)[C@@H](C)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CDK9 P50750 10/20 1.00
CDK7 P50613 12/20 0.78
CDK4 P11802 12/20 0.78
CCNE1 P24864 11/20 0.78
CDK1 P06493 11/20 0.78
CCND1 P24385 10/20 0.78
CCNH P51946 10/20 0.78
CCNB1 P14635 10/20 0.78
MAPK1 P28482 8/20 0.78
CDK5 Q00535 1/20 0.73
CCNT1 O60563 2/20 0.68
CCNT2 O60583 1/20 0.68
CCNB2 O95067 1/20 0.68
CCNE2 O96020 1/20 0.68
CCNB3 Q8WWL7 1/20 0.68

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
SCHEMBL1380075 0.88 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL1380073 0.88 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL1380899 0.88 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL13633351 0.85 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL3879278 0.85 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL6246011 0.85 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL6244174 0.85 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL6248828 0.85 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL3305104 0.84 CDK2 (1.00) CDK2CDK9CDK7CDK4CCNE1
SCHEMBL15117670 0.84 CDK2 (0.73) CDK2CDK9CDK7CDK4CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592581-B2 Trisubstituted purine derivatives CYCLACEL LIMITED (GB) 2013-11-26 US claimed
US-8592581-B2 Trisubstituted purine derivatives CYCLACEL LIMITED (GB) 2013-11-26 US disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
EP-2139893-A2 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES Cyclacel Limited (GB) 2010-01-06 EP disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 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-20100093769-A1 COMPOUNDS CCR9, NPY1R, BCL9 CDK2 1751/4885CDK9 57/4885CDK7 1001/4885

“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.