SCHEMBL4532499

SCHEMBL4532499

Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4ccc(-c5ccccc5)nc34)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 8/20 0.65
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
FAAH O00519 3/20 0.54
KCNH2 Q12809 3/20 0.49
CYP3A4 P08684 2/20 0.49
LIMK2 P53671 1/20 0.49
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.46
P2RY12 Q9H244 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8153504 0.93 PI4KB (0.63) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4528644 0.92 PI4KB (0.62) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL8145173 0.91 PI4KB (0.61) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL8147726 0.90 PI4KB (0.66) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL8150008 0.90 PI4KB (0.60) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL13676271 0.90 PI4KB (0.60) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL8146999 0.90 PI4KB (0.60) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL8150417 0.89 PI4KB (0.59) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4108816 0.89 PDE4A (0.63) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL8149993 0.88 PI4KB (0.61) PI4KBPDE4APDE4BPDE4CPDE4D

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 PI4KB 2356/4885PDE4A 1370/4885PDE4B 1438/4885

“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.