SCHEMBL4496436

SCHEMBL4496436

CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CCNE1 P24864 19/20 1.00
CDK7 P50613 19/20 1.00
CCNH P51946 19/20 1.00
CDK4 P11802 18/20 1.00
CCND1 P24385 18/20 1.00
CDK1 P06493 16/20 1.00
CCNB1 P14635 16/20 1.00
MAPK1 P28482 8/20 0.78
CDK9 P50750 3/20 0.72
CCNT1 O60563 2/20 0.72

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
SCHEMBL1378506 1.00 CDK2 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL3876741 0.88 CDK1 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL4488751 0.88 CDK1 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL3876749 0.88 CDK1 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL1380702 0.86 CDK2 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL1381128 0.86 CDK2 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL1380075 0.85 CDK2 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL3876180 0.85 CDK2 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL1380899 0.85 CDK2 (1.00) CDK2CCNE1CDK7CCNHCDK4
SCHEMBL6247483 0.85 CDK2 (1.00) CDK2CCNE1CDK7CCNHCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US claimed
US-20060183760-A1 New purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-08-17 US claimed
EP-1534708-B1 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LTD (GB) 2006-04-26 EP claimed
US-20050256142-A1 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-11-17 US claimed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
US-20060183760-A1 New purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-08-17 US disclosed
EP-1534708-B1 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LTD (GB) 2006-04-26 EP disclosed
US-20050256142-A1 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-11-17 US disclosed
EP-1534708-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Cyclacel Limited (GB) 2005-06-01 EP disclosed
WO-2004016613-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LIMITED (GB) 2004-02-26 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-20060183760-A1 New purine derivatives C5, CYC1, CCNH CDK2 261/4885CCNE1 283/4885CDK7 997/4885
US-20050256142-A1 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CDK1, CDK2, CCND1 CDK2 2/4885CCNE1 39/4885CDK7 36/4885
US-20090270427-A1 PURINE DERIVATIVES C5, CYC1, CCNH CDK2 214/4885CCNE1 221/4885CDK7 860/4885

“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.