SCHEMBL4763434

SCHEMBL4763434

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.67
AURKA O14965 1/20 0.48
LRRK2 Q5S007 2/20 0.48
CHEK1 O14757 2/20 0.46
RET P07949 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
FLT3 P36888 2/20 0.46
RPS6KA3 P51812 2/20 0.46
MAPK10 P53779 2/20 0.46
STK4 Q13043 2/20 0.46
STK3 Q13188 2/20 0.46
MARK2 Q7KZI7 2/20 0.46
TBK1 Q9UHD2 2/20 0.46
RPS6KA6 Q9UK32 2/20 0.46
NUAK1 O60285 1/20 0.46
JAK2 O60674 1/20 0.46
CSF1R P07333 1/20 0.46
FLT4 P35916 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
SCHEMBL4775395 0.93 SYK (0.60) SYKAURKALRRK2CHEK1RET
SCHEMBL4764044 0.89 SYK (0.66) SYKAURKALRRK2JAK1TBK1
SCHEMBL4770588 0.89 SYK (0.56) SYKAURKALRRK2CHEK1RET
SCHEMBL4768983 0.85 AURKA (0.53) SYKAURKALRRK2RETFLT3
SCHEMBL4772623 0.85 SYK (0.54) SYKAURKALRRK2CHEK1JAK1
SCHEMBL4766314 0.85 SYK (0.71) SYKJAK1JAK2
SCHEMBL4769208 0.84 SYK (0.53) SYKAURKALRRK2CHEK1
SCHEMBL4769132 0.81 SYK (0.64) SYKLRRK2JAK1JAK2
SCHEMBL4764141 0.81 CDK2 (0.53) SYKAURKALRRK2
SCHEMBL736489 0.80 SYK (1.00) SYKCHEK1RETJAK1TYK2

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.