SCHEMBL4021385

SCHEMBL4021385

COCC(C)c1nc(C)[nH]c1-c1ccnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.48
CDK4 P11802 4/20 0.48
CCNA2 P20248 1/20 0.47
CCNA1 P78396 1/20 0.47
POLB P06746 3/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
SLC12A2 P55011 1/20 0.43
SLC12A5 Q9H2X9 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SYK P43405 2/20 0.43
CXCR4 P61073 1/20 0.42

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
SCHEMBL6387033 0.90 CDK2 (0.50) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6603729 0.82 CDK2 (0.51) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6604728 0.82 CDK2 (0.48) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL4021384 0.81 CDK2 (0.68) CDK2CDK4CCNA2CCNA1
SCHEMBL6623217 0.81 CDK2 (0.65) CDK2CDK4CCNA2CCNA1SYK
SCHEMBL6604316 0.80 CDK2 (0.50) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6443063 0.79 CDK2 (0.58) CDK2CDK4SYK
SCHEMBL6605982 0.79 CDK2 (0.49) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6106036 0.78 CDK2 (0.64) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL5098992 0.77 CDK2 (0.60) CDK2CDK4CCNA2CCNA1POLB

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-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP claimed
US-20050256311-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-11-17 US claimed
EP-1485375-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP claimed
WO-2003076435-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 WO claimed
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed
US-7485638-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2009-02-03 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-20050256311-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 CDK2 24/4885CDK4 48/4885CCNA2 27/4885

“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.