SCHEMBL4821808

SCHEMBL4821808

CCn1c(C)nc(-c2ccnc(Nc3ccccc3)n2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.53
PTK2 Q05397 4/20 0.53
PLK1 P53350 2/20 0.53
CDK2 P24941 9/20 0.49
CDK4 P11802 4/20 0.49
CCNE1 P24864 2/20 0.48
CDK1 P06493 4/20 0.47
FGFR1 P11362 3/20 0.47
FGFR3 P22607 3/20 0.47
CCNB1 P14635 2/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
SRC P12931 1/20 0.47
CCNA2 P20248 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
CCND1 P24385 1/20 0.47
CCND2 P30279 1/20 0.47
CCND3 P30281 1/20 0.47
CCNA1 P78396 1/20 0.47

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
SCHEMBL6601934 0.83 CCNT1 (0.61) CDK2CDK4CDK1CCNB1CCNA2
SCHEMBL4819158 0.82 CDK2 (0.60) KDRPTK2PLK1CDK2CDK4
SCHEMBL6599765 0.82 CDK2 (0.57) CDK2CDK4CCNE1CDK1CCNB1
SCHEMBL5098405 0.80 CDK2 (0.72) KDRPTK2PLK1CDK2CDK4
SCHEMBL4826063 0.76 CDK2 (0.58) KDRPTK2PLK1CDK2CDK4
SCHEMBL6599298 0.75 CDK2 (0.67) CDK2CDK4CDK1IKBKB
SCHEMBL5104957 0.73 CDK2 (0.60) KDRPTK2PLK1CDK2CDK4
SCHEMBL6596500 0.70 CDK2 (0.64) KDRPTK2PLK1CDK2CDK4
SCHEMBL5105343 0.70 CDK2 (0.69) KDRPTK2PLK1CDK2CDK4
SCHEMBL5096290 0.70 PRKCD (0.53) 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-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 KDR 745/4885PTK2 4227/4885PLK1 424/4885

“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.