SCHEMBL5108570

SCHEMBL5108570

CC(C)Cc1ncc(-c2ccnc(Nc3ccccc3)n2)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
PTK2 Q05397 2/20 0.50
PLK1 P53350 1/20 0.50
CDK2 P24941 15/20 0.48
CDK4 P11802 7/20 0.48
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
GSK3B P49841 3/20 0.44
DYRK1A Q13627 1/20 0.44
CCND1 P24385 2/20 0.43
CCND3 P30281 2/20 0.43
CCNE1 P24864 2/20 0.43
KCNH2 Q12809 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CCNA2 P20248 1/20 0.43

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
SCHEMBL6593493 0.87 KDR (0.53) KDRPTK2PLK1CDK2CDK4
SCHEMBL5102233 0.86 KDR (0.46) KDRPTK2PLK1CDK2CDK4
SCHEMBL6596354 0.85 CDK2 (0.53) KDRPTK2PLK1CDK2CDK4
SCHEMBL5095453 0.84 KDR (0.48) KDRPTK2PLK1CDK2CDK4
SCHEMBL5109189 0.83 KDR (0.49) KDRPTK2PLK1CDK2CDK4
SCHEMBL5109523 0.82 KDR (0.53) KDRPTK2PLK1CDK2CDK4
SCHEMBL5105343 0.80 CDK2 (0.69) KDRPTK2PLK1CDK2CDK4
SCHEMBL5102167 0.79 KDR (0.50) KDRPTK2PLK1CDK2CDK4
SCHEMBL5109492 0.77 CDK2 (0.72) CDK2CDK4GSK3BCCND1CCND3
SCHEMBL5104874 0.77 CDK2 (0.63) KDRPTK2PLK1CDK2CDK4

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 KDR 821/4885PTK2 1742/4885PLK1 116/4885

“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.