SCHEMBL4519946

SCHEMBL4519946

CC(=O)Nc1ccc(-c2ccc3nc(N)nc(N4CCN(C)CC4)c3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
JAK2 O60674 1/20 0.51
HRH4 Q9H3N8 11/20 0.48
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
PI4KB Q9UBF8 2/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
WDR5 P61964 1/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4523686 0.91 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL4531681 0.91 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL823641 0.90 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL4519557 0.89 MTOR (0.55) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL4358538 0.83 HRH4 (0.60) HRH4HRH3HRH1
SCHEMBL4528000 0.81 HRH4 (0.55) HRH4KDM4EKCNH2ALDH1A1MAPT
SCHEMBL823782 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL4114188 0.80 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4704315 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL823679 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO PDE4A 1370/4885PDE4B 1438/4885PDE4C 1064/4885

“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.