SCHEMBL4764044

SCHEMBL4764044

CS(=O)(=O)c1ccc(Nc2ncc(C#N)c(NC3CC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.66
AURKA O14965 1/20 0.50
LRRK2 Q5S007 2/20 0.49
PTK2 Q05397 1/20 0.48
KCNH2 Q12809 1/20 0.48
PTK2B Q14289 1/20 0.48
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL4763434 0.89 SYK (0.67) SYKAURKALRRK2TBK1JAK2
SCHEMBL4775395 0.86 SYK (0.60) SYKAURKALRRK2CDK2TBK1
SCHEMBL4766530 0.85 AURKA (0.55) SYKAURKALRRK2CDK2JAK1
SCHEMBL4774057 0.84 PRKCQ (0.56) SYKAURKALRRK2PTK2KCNH2
SCHEMBL4774317 0.83 AURKA (0.53) SYKAURKAPTK2KCNH2PTK2B
SCHEMBL4770588 0.82 SYK (0.56) SYKAURKALRRK2TBK1JAK2
SCHEMBL4766314 0.82 SYK (0.71) SYKCDK2JAK2JAK1
SCHEMBL4764141 0.81 CDK2 (0.53) SYKAURKALRRK2CDK2
SCHEMBL4772623 0.81 SYK (0.54) SYKAURKALRRK2JAK2JAK1
SCHEMBL4769132 0.81 SYK (0.64) SYKLRRK2CDK2JAK2JAK1

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 SYK 1334/4885AURKA 502/4885LRRK2 4334/4885

“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.