SCHEMBL4774308

SCHEMBL4774308

CCCCNc1nc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)ncc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCNA1 P78396 1/20 0.54
POLB P06746 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NR2F2 P24468 1/20 0.46
RAB9A P51151 1/20 0.46
TNK2 Q07912 5/20 0.45
NPC1 O15118 1/20 0.45
SLC12A2 P55011 1/20 0.45
SLC12A5 Q9H2X9 1/20 0.45
CXCR4 P61073 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHEK1 O14757 1/20 0.43
JAK2 O60674 1/20 0.43
ABL1 P00519 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
SCHEMBL4766348 0.91 CCNA2 (0.59) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4770109 0.90 CCNA2 (0.55) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4770586 0.88 CCNA2 (0.59) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4763587 0.88 CCNA2 (0.50) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4766555 0.88 CCNA2 (0.53) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4765252 0.87 CCNA2 (0.50) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4772160 0.86 CCNA2 (0.53) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4775363 0.86 CCNA2 (0.54) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4765289 0.86 CCNA2 (0.57) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4768919 0.83 CCNA2 (0.52) CCNA2CDK2CCNA1POLBSMN1; SMN2

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
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

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 CCNA2 40/4885CDK2 24/4885CCNA1 19/4885

“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.