SCHEMBL5095355

SCHEMBL5095355

CCCn1c(-c2ccnc(Nc3ccccc3)n2)cnc1/C=C/C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.43
CDK4 P11802 6/20 0.43
CCNE1 P24864 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
FGFR1 P11362 1/20 0.43
CCNA2 P20248 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
CCNA1 P78396 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
KDR P35968 1/20 0.42
PLK1 P53350 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL5095360 1.00 CDK2 (0.43) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5095654 0.85 CDK2 (0.48) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5104957 0.81 CDK2 (0.60) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL4826055 0.79 CDK2 (0.47) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5098777 0.79 CDK2 (0.44) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5095575 0.77 CDK2 (0.50) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5099032 0.77 CDK2 (0.43) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5095542 0.76 CDK2 (0.45) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5098405 0.74 CDK2 (0.72) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5104939 0.72 PRKCD (0.51) CDK2CDK4CCNE1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442697-B2 4-imidazolyl substituted pyrimidine derivatives with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity MOTOROLA MOBILITY LLC 2006-04-06 US disclosed
EP-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP disclosed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 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-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity CCNI, CDK3, CDK4 CDK2 6/4885CDK4 3/4885CCNE1 15/4885

“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.