SCHEMBL4773980

SCHEMBL4773980

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.52
SYK P43405 2/20 0.46
KDR P35968 5/20 0.46
CDK1 P06493 3/20 0.46
CA2 P00918 1/20 0.46
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CCNA1 P78396 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LRRK2 Q5S007 3/20 0.44
PTK2 Q05397 3/20 0.44
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
LCK P06239 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
SCHEMBL7149530 0.94 AURKA (0.46) AURKASYKKDRCDK1CA2
SCHEMBL4763724 0.90 CA2 (0.47) AURKASYKKDRCDK1CA2
SCHEMBL4774317 0.89 AURKA (0.53) AURKASYKKDRCDK1CA2
SCHEMBL4768983 0.89 AURKA (0.53) AURKASYKKDRCDK1CA2
SCHEMBL4766361 0.88 AURKA (0.49) AURKASYKKDRCDK1CA2
SCHEMBL4763589 0.87 AURKA (0.51) AURKASYKKDRCDK1CA2
SCHEMBL4772099 0.84 CA2 (0.52) AURKASYKKDRCDK1CA2
SCHEMBL4772198 0.83 AURKA (0.46) AURKASYKKDRCDK1CA2
SCHEMBL4768143 0.83 SYK (0.53) AURKASYKKDRCDK1CA2
SCHEMBL4766554 0.83 AURKA (0.46) AURKASYKKDRCDK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1303496-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2003-04-23 EP disclosed
WO-2002004429-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-17 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-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 AURKA 502/4885SYK 1334/4885KDR 959/4885

“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.