SCHEMBL6496016

SCHEMBL6496016

CCNc1nc(Nc2ccc(S(=O)(=O)NCC(O)CN3CCCCC3)cc2)ncc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.41
KDR P35968 4/20 0.40
CDK1 P06493 3/20 0.40
AURKA O14965 2/20 0.40
ABL1 P00519 1/20 0.40
PLK1 P53350 2/20 0.40
PLK3 Q9H4B4 2/20 0.40
PLK2 Q9NYY3 2/20 0.40
LRRK2 Q5S007 3/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL4763519 0.87 AURKA (0.47) KDRCDK1AURKAABL1PLK1
SCHEMBL4772264 0.84 AURKA (0.47) KDRCDK1AURKAPLK1PLK3
SCHEMBL4768143 0.79 SYK (0.53) KDRCDK1AURKAABL1PLK1
SCHEMBL4770543 0.78 CA2 (0.42) KDRCDK1AURKAABL1CDK2
SCHEMBL4768085 0.78 SRC (0.49) KDRCDK1ABL1PLK1PLK3
SCHEMBL4772099 0.78 CA2 (0.52) KDRCDK1AURKALRRK2DAPK3
SCHEMBL4763589 0.77 AURKA (0.51) KDRCDK1AURKAPLK1PLK3
SCHEMBL4772198 0.77 AURKA (0.46) KDRCDK1AURKAPLK1PLK3
SCHEMBL4766554 0.77 AURKA (0.46) KDRCDK1AURKALRRK2DAPK3
SCHEMBL4770519 0.76 AURKA (0.46) KDRCDK1AURKALRRK2CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A9 4329/4885KDR 959/4885CDK1 33/4885

“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.