SCHEMBL4497263

SCHEMBL4497263

CC(C)n1cnc2c(Nc3ccncc3)nc(F)nc21

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.73
CDK5 Q00535 13/20 0.73
CDK5R1 Q15078 13/20 0.73
CCNA2 P20248 13/20 0.73
CCNA1 P78396 13/20 0.73
DYRK1A Q13627 11/20 0.73
CDK1 P06493 3/20 0.57
CCNE2 O96020 2/20 0.56
CCNE1 P24864 2/20 0.56
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
FLT3 P36888 1/20 0.48

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
SCHEMBL3298667 0.81 CDK1 (0.63) CDK2CDK5CDK5R1DYRK1ACDK1
SCHEMBL20549679 0.81 CDK1 (0.58) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL4478416 0.80 CDK2 (0.74) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL5749121 0.80 CDK1 (0.70) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL16714573 0.79 EGFR (0.58) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL6565678 0.76 CDK5 (0.66) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL5839686 0.76 CDK5 (0.76) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL1325062 0.76 CDK5 (0.70) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL6245433 0.76 CDK5 (1.00) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL6245437 0.76 CDK5 (1.00) CDK2CDK5CDK5R1CCNA2CCNA1

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 5 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
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
EP-1399446-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2004-03-24 EP disclosed
WO-2003002565-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2003-01-09 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-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 CDK2 40/4885CDK5 83/4885CDK5R1 107/4885

“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.