SCHEMBL4769260

SCHEMBL4769260

CCCCNc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C#N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
AURKA O14965 1/20 0.48
CHEK1 O14757 1/20 0.44
STK17A Q9UEE5 5/20 0.44
SYK P43405 3/20 0.44
PTK2 Q05397 2/20 0.43
CDK1 P06493 3/20 0.43
KDR P35968 3/20 0.43
CDK2 P24941 4/20 0.43
CCNA2 P20248 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
CCNA1 P78396 1/20 0.43
STK17B O94768 2/20 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
SCHEMBL4766065 0.94 AURKA (0.50) CA2CA1CA9AURKACHEK1
SCHEMBL4763724 0.91 CA2 (0.47) CA2CA1CA9AURKACHEK1
SCHEMBL4774317 0.90 AURKA (0.53) CA2AURKASYKPTK2CDK1
SCHEMBL4772582 0.88 AURKA (0.52) CA2AURKASYKPTK2CDK1
SCHEMBL4766388 0.84 AURKA (0.49) CA2AURKASYKPTK2CDK1
SCHEMBL4772259 0.84 KMT2A (0.42) CA2CA1CA9AURKACHEK1
SCHEMBL4768575 0.84 CHEK1 (0.46) CA2CA1CA9AURKACHEK1
SCHEMBL4772257 0.83 CA2 (0.41) CA2CA1CA9AURKACHEK1
SCHEMBL4766530 0.83 AURKA (0.55) AURKASYKCDK1KDRCDK2
SCHEMBL4774057 0.82 PRKCQ (0.56) AURKACHEK1SYKPTK2CDK1

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 9 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

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 CA2 2742/4885CA1 3010/4885CA9 3548/4885

“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.