SCHEMBL4763589

SCHEMBL4763589

CCNc1nc(Nc2ccc(S(=O)(=O)NC)cc2)ncc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
CDK2 P24941 6/20 0.49
CCNT1 O60563 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK9 P50750 2/20 0.49
CCNA1 P78396 2/20 0.49
CDK1 P06493 5/20 0.45
KDR P35968 4/20 0.45
GAK O14976 1/20 0.45
CA2 P00918 1/20 0.45
PTK2 Q05397 1/20 0.45
PTK2B Q14289 1/20 0.45
PLK1 P53350 2/20 0.44
PLK3 Q9H4B4 2/20 0.44
PLK2 Q9NYY3 2/20 0.44
SYK P43405 1/20 0.43
PRKCQ Q04759 1/20 0.43
LRRK2 Q5S007 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL4768983 0.88 AURKA (0.53) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4774317 0.88 AURKA (0.53) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4773980 0.87 AURKA (0.52) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4772099 0.87 CA2 (0.52) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4772198 0.86 AURKA (0.46) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4768143 0.86 SYK (0.53) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4766554 0.86 AURKA (0.46) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4766260 0.84 SYK (0.55) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4772264 0.84 AURKA (0.47) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4763519 0.84 AURKA (0.47) AURKACDK2CCNT1CCNA2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP claimed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP claimed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US claimed
JP-2004502763-A 2004-01-29 JP claimed
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 US claimed
EP-1303496-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2003-04-23 EP claimed
WO-2002004429-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-17 WO claimed
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 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-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 AURKA 502/4885CDK2 24/4885CCNT1 3/4885

“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.