SCHEMBL4514992

SCHEMBL4514992

Cc1nn(-c2ccccc2)c2nc(C3CN(C(=O)OCc4ccccc4)C3)[nH]c(=O)c12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KHK P50053 9/20 0.60
CCNE1 P24864 5/20 0.52
CDK2 P24941 5/20 0.52
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
HPGD P15428 2/20 0.47
TNF P01375 1/20 0.47
ATM Q13315 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 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
SCHEMBL4514986 0.85 KHK (0.44) KHKHPGDALDH1A1HTTHSD17B10
SCHEMBL4522989 0.84 KHK (0.60) KHKCCNE1CDK2CDK1CCNB1
SCHEMBL4507115 0.80 KHK (0.63) KHKCCNE1CDK2CDK1CCNB1
SCHEMBL4505301 0.79 KHK (0.54) KHKCCNE1CDK2CDK1CCNB1
SCHEMBL4512852 0.78 KHK (0.55) KHKCCNE1CDK2CDK1CCNB1
SCHEMBL4511884 0.78 KHK (0.54) KHKCCNE1CDK2CDK1CCNB1
SCHEMBL4596672 0.77 KHK (0.54) KHKCCNE1CDK2CDK1CCNB1
SCHEMBL4522433 0.76 KHK (0.53) KHKCCNE1CDK2CDK1CCNB1
SCHEMBL13865894 0.74 KHK (0.62) KHKCCNE1CDK2HPGDALDH1A1
SCHEMBL13865930 0.74 KHK (0.61) KHKCCNE1CDK2HPGDTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B KHK 3420/4885CCNE1 4430/4885CDK2 2641/4885

“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.