SCHEMBL4523916

SCHEMBL4523916

CC(C)C(=O)Nc1ccc(-c2ccc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

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
MOK Q9UQ07 1/20 0.49
JAK2 O60674 3/20 0.49
JAK3 P52333 3/20 0.49
MTOR P42345 12/20 0.45
PIK3CA P42336 11/20 0.45
PIK3CG P48736 6/20 0.45
PIK3CD O00329 3/20 0.45
NOS1 P29475 2/20 0.44
PIK3R1 P27986 5/20 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
SCHEMBL4519557 0.89 MTOR (0.55) PDE4APDE4BPDE4CPDE4DMOK
SCHEMBL823729 0.88 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMOK
SCHEMBL3765184 0.85 NOS1 (0.64) MOKJAK2JAK3MTORPIK3CA
SCHEMBL4528710 0.80 PIK3CD (0.54) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL4523686 0.79 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMOK
SCHEMBL4531681 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMOK
SCHEMBL3765421 0.79 NOS1 (0.63) JAK2JAK3MTORPIK3CAPIK3CG
SCHEMBL3765436 0.79 NOS1 (0.63) JAK2JAK3MTORPIK3CAPIK3CG
SCHEMBL4519946 0.78 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL4101991 0.78 NOS1 (0.52) PDE4APDE4BPDE4CPDE4DMTOR

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 4 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 claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
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.