SCHEMBL3605603

SCHEMBL3605603

CC#CCCOc1nc(N)nc2ccc(-c3ccc(OC)c(OC)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 1/20 0.38
GAK O14976 2/20 0.38
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4523926 0.86 NOS1 (0.44) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL3611916 0.83 NOS1 (0.42) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL3605503 0.83 MAPT (0.34) KDM4EALDH1A1DHFRGAKMEN1
SCHEMBL3924318 0.82 NOS1 (0.46) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL3609404 0.82 NOS1 (0.48) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL3612784 0.82 NOS1 (0.42) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL3614661 0.82 NOS1 (0.41) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL3607150 0.81 NOS1 (0.45) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL3613666 0.80 PDE4A (0.45) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL3924335 0.78 NOS1 (0.44) NOS1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK NOS1 424/4885PDE4A 843/4885PDE4B 1159/4885

“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.