SCHEMBL5102167

SCHEMBL5102167

Cn1c(-c2ccnc(Nc3ccccc3)n2)cnc1CCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
PTK2 Q05397 2/20 0.50
AKT1 P31749 1/20 0.50
PLK1 P53350 2/20 0.46
CDK2 P24941 9/20 0.45
GSK3B P49841 2/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
CDK4 P11802 3/20 0.42
CYP1A2 P05177 2/20 0.42
CASP7 P55210 2/20 0.42
EIF2AK2 P19525 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 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
SCHEMBL5109189 0.83 KDR (0.49) KDRPTK2PLK1CDK2GSK3B
SCHEMBL6593493 0.82 KDR (0.53) KDRPTK2PLK1CDK2GSK3B
SCHEMBL6596354 0.80 CDK2 (0.53) KDRPTK2AKT1PLK1CDK2
SCHEMBL5102123 0.80 CDK2 (0.71) CDK2CDK4
SCHEMBL5108570 0.79 KDR (0.50) KDRPTK2PLK1CDK2GSK3B
SCHEMBL5095453 0.78 KDR (0.48) KDRPTK2PLK1CDK2GSK3B
SCHEMBL5105343 0.76 CDK2 (0.69) KDRPTK2PLK1CDK2GSK3B
SCHEMBL5102825 0.76 CDK2 (0.73) CDK2CDK4
SCHEMBL5102233 0.75 KDR (0.46) KDRPTK2PLK1CDK2GSK3B
SCHEMBL4826055 0.74 CDK2 (0.47) KDRPTK2PLK1CDK2GSK3B

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 2 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

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 1742/4885AKT1 2212/4885

“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.