SCHEMBL1379209

SCHEMBL1379209

CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CDK1 P06493 17/20 1.00
CDK4 P11802 17/20 1.00
CDK7 P50613 17/20 1.00
CCNE1 P24864 16/20 1.00
CCNH P51946 16/20 1.00
CCNB1 P14635 15/20 1.00
CCND1 P24385 15/20 1.00
MAPK1 P28482 13/20 1.00
CDK9 P50750 7/20 1.00
CCNT1 O60563 4/20 1.00
MNAT1 P51948 1/20 0.75
CDK6 Q00534 1/20 0.75
CDK5 Q00535 1/20 0.75

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
SCHEMBL1374946 1.00 CDK2 (1.00) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL1376524 1.00 CDK2 (1.00) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL4488751 0.90 CDK1 (1.00) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL3876741 0.90 CDK1 (1.00) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL3876749 0.90 CDK1 (1.00) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL1378096 0.87 CDK2 (0.89) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL3944585 0.86 CDK2 (1.00) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL31060362 0.86 CDK2 (1.00) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL1379184 0.86 CDK2 (1.00) CDK2CDK1CDK4CDK7CCNE1
SCHEMBL3855548 0.86 CDK2 (1.00) CDK2CDK1CDK4CDK7CCNE1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4723858-B2 2011-07-13 JP claimed
US-20100143350-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2010-06-10 US claimed
EP-2139486-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2010-01-06 EP claimed
WO-2008122779-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2008-10-16 WO claimed
JP-2006506341-A 2006-02-23 JP claimed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP claimed
WO-2004016612-A2 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2004-02-26 WO claimed
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 US disclosed
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 US disclosed
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
CN-101678029-B Purine-based CDK inhibitors in combination with tyrosine kinase inhibitors and their use in the treatment of proliferative diseases CYCLACEL LTD 2012-07-18 CN disclosed
US-7582642-B2 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 CYCLACEL LIMITED (GB) 2009-09-01 US disclosed
US-7582642-B2 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 CYCLACEL LIMITED (GB) 2009-09-01 US disclosed
WO-2008122779-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122779-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
EP-1529047-B1 NEW PURINE DERIVATIVES CYCLACEL LTD (GB) 2007-02-21 EP disclosed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP disclosed
WO-2004016612-A2 NEW PURINE DERIVATIVES 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 (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-20100143350-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CDK4, CDK2, CDK3 CDK2 2/4885CDK1 6/4885CDK4 1/4885

“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.