SCHEMBL4763587

SCHEMBL4763587

N#Cc1cnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)nc1NCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
TNK2 Q07912 11/20 0.49
CHEK1 O14757 2/20 0.45
ABL1 P00519 2/20 0.45
JAK2 O60674 2/20 0.45
LCK P06239 1/20 0.45
ROS1 P08922 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
TYK2 P29597 1/20 0.45
ALK Q9UM73 1/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
NR2F2 P24468 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 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
SCHEMBL4774308 0.88 CCNA2 (0.54) CCNA2CDK2CCNA1TNK2CHEK1
SCHEMBL4766348 0.87 CCNA2 (0.59) CCNA2CDK2CCNA1TNK2CHEK1
SCHEMBL4770109 0.86 CCNA2 (0.55) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4770586 0.84 CCNA2 (0.59) CCNA2CDK2CCNA1TNK2CHEK1
SCHEMBL4775363 0.82 CCNA2 (0.54) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4766555 0.82 CCNA2 (0.53) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4765289 0.82 CCNA2 (0.57) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4772160 0.81 CCNA2 (0.53) CCNA2CDK2CCNA1TNK2CHEK1
SCHEMBL6220525 0.81 CCNA2 (0.60) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4768919 0.80 CCNA2 (0.52) CCNA2CDK2CCNA1TNK2JAK2

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.