SCHEMBL4826063

SCHEMBL4826063

CCc1nc(C)c(-c2ccnc(Nc3ccccc3)n2)n1CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.58
CDK4 P11802 5/20 0.58
CCNE1 P24864 3/20 0.58
KDR P35968 5/20 0.51
PTK2 Q05397 4/20 0.51
PLK1 P53350 2/20 0.51
PRKCD Q05655 2/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
PRKCA P17252 1/20 0.45
CDK1 P06493 3/20 0.43
FGFR1 P11362 3/20 0.43
FGFR3 P22607 3/20 0.43
GSK3B P49841 3/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
IKBKB O14920 2/20 0.43
AURKA O14965 2/20 0.43
CHEK2 O96017 2/20 0.43
PRKCG P05129 2/20 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
SCHEMBL4819158 0.88 CDK2 (0.60) CDK2CDK4CCNE1KDRPTK2
SCHEMBL4821591 0.78 CDK2 (0.72) CDK2CDK4CDK1IKBKBSYK
SCHEMBL6596500 0.76 CDK2 (0.64) CDK2CDK4CCNE1KDRPTK2
SCHEMBL4821808 0.76 KDR (0.53) CDK2CDK4CCNE1KDRPTK2
SCHEMBL5098405 0.76 CDK2 (0.72) CDK2CDK4CCNE1KDRPTK2
SCHEMBL6593493 0.73 KDR (0.53) CDK2CDK4CCNE1KDRPTK2
SCHEMBL6245628 0.72 CDK2 (0.69) CDK2CDK4CCNE1KDRPTK2
SCHEMBL4824472 0.72 CDK2 (0.63) CDK2CDK4CDK1GSK3BIKBKB
SCHEMBL4824463 0.71 CDK2 (0.58) CDK2CDK4CCNE1CDK1GSK3B
SCHEMBL2283254 0.71 CDK2 (0.73) CDK2CDK4CCNE1PLK1CDK1

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-7446105-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-11-04 US disclosed
US-20050119291-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1485374-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003076433-A1 PYRIMIDINE COMPOUNDS 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-20050119291-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 CDK2 22/4885CDK4 47/4885CCNE1 6/4885

“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.