SCHEMBL4807930

SCHEMBL4807930

CCN(CC)C(=O)c1ccc(C(=O)c2ccc(Nc3nccc(-c4cnc5ccccn45)n3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.59
IGF1R P08069 3/20 0.59
CDK4 P11802 3/20 0.57
CDK1 P06493 2/20 0.57
MAPK8 P45983 4/20 0.49
MAPK9 P45984 3/20 0.49
MAPK10 P53779 2/20 0.49
JUN P05412 1/20 0.49
HDAC1 Q13547 1/20 0.49
KCNH2 Q12809 1/20 0.48
IRAK4 Q9NWZ3 3/20 0.47
DYRK1A Q13627 1/20 0.47
ADORA2A P29274 1/20 0.45
CCNE1 P24864 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
SCHEMBL4805850 0.88 CDK2 (0.68) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL4811064 0.87 CDK2 (0.64) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL1684872 0.84 CDK2 (0.70) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL4812994 0.83 CDK2 (0.55) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL7978513 0.83 CDK2 (0.69) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL7988053 0.83 CDK2 (0.61) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL4813320 0.83 CDK2 (0.61) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL7975375 0.82 CDK2 (0.66) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL4811306 0.81 CDK2 (0.72) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL1684949 0.81 CDK2 (0.64) CDK2IGF1RCDK4CDK1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345050-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-03-18 US claimed
US-20040077642-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2004-04-22 US claimed
EP-1373266-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES AstraZeneca AB (SE) 2004-01-02 EP claimed
WO-2002065979-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES ASTRAZENECA AB (SE) 2002-08-29 WO claimed
US-7345050-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-03-18 US disclosed
US-20040077642-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2004-04-22 US disclosed
EP-1373266-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002065979-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES ASTRAZENECA AB (SE) 2002-08-29 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-20040077642-A1 Pyrimidine compounds TYMP, DPYD, TYMS CDK2 49/4885IGF1R 4669/4885CDK4 209/4885

“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.