SCHEMBL826387

SCHEMBL826387

CCC(=O)Nc1ccc(-c2ccc3nc(N)nc(NCC(CC)OC)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
TLR8 Q9NR97 6/20 0.39
TLR7 Q9NYK1 6/20 0.39
GHSR Q92847 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
GAA P10253 2/20 0.36
PTPN1 P18031 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL826184 0.92 TLR8 (0.39) MAPTTLR8TLR7PDE4APDE4B
SCHEMBL826522 0.90 TLR8 (0.40) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL823694 0.84 TLR8 (0.49) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL826887 0.82 TLR8 (0.41) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL825615 0.82 TLR8 (0.45) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL826031 0.81 GHSR (0.41) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL825824 0.80 TLR8 (0.42) TLR8TLR7
SCHEMBL826093 0.80 TLR8 (0.41) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL823723 0.80 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL825654 0.80 MAPT (0.39) NPC1RAB9AMAPTALDH1A1MEN1

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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP NPC1 3135/4885RAB9A 3030/4885MAPT 2803/4885

“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.