SCHEMBL4528382

SCHEMBL4528382

CC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.46
MAP4K4 O95819 4/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
GRIA1 P42261 2/20 0.43
HRH4 Q9H3N8 5/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MET P08581 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK13 O15264 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3933170 0.89 MAP4K4 (0.49) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4113417 0.89 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL4113544 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4106677 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL3924848 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL3933151 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4523686 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4121704 0.86 KIT (0.53) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL8154203 0.86 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL3931899 0.86 PDE4A (0.51) 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.