SCHEMBL4525875

SCHEMBL4525875

CC(=O)N1CCN(c2nc(N)nc3ccc(Cl)nc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MAP4K4 O95819 1/20 0.46
NCF1 P14598 1/20 0.44
HRH4 Q9H3N8 4/20 0.44
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
PI4KB Q9UBF8 3/20 0.40
GBA1 P04062 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL3921055 0.85 PI4KB (0.48) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL4527871 0.83 HRH4 (0.63) HRH4
SCHEMBL4522361 0.82 MAPT (0.43) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4107715 0.81 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL11888735 0.80 LMNA (0.47) MAP4K4HRH4GFERMAPT
SCHEMBL4528382 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL31677700 0.79 CASP6 (0.49) MAP4K4NCF1CASP6GFERTP53
SCHEMBL3929738 0.78 PI4KB (0.68) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8152759 0.78 PI4KB (0.66) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL823672 0.78 HRH4 (0.44) 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.