SCHEMBL3608295

SCHEMBL3608295

CC[C@@H](OC)Oc1nc(N)nc2ccc(-c3ccc(C(=O)O)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHEK1 O14757 1/20 0.36
DHFR P00374 10/20 0.36
TP53 P04637 1/20 0.36
DYRK1A Q13627 1/20 0.35
PDE4A P27815 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL3610866 1.00 TLR8 (0.38) TLR8TLR7NPC1RAB9ASMN1; SMN2
SCHEMBL3609932 0.84 DHFR (0.35) TLR8TLR7NPC1RAB9ASMN1; SMN2
SCHEMBL3605191 0.84 DHFR (0.35) TLR8TLR7NPC1RAB9ASMN1; SMN2
SCHEMBL3608300 0.84 DHFR (0.39) TLR8TLR7KDM4EALDH1A1CHEK1
SCHEMBL3610864 0.84 DHFR (0.39) TLR8TLR7KDM4EALDH1A1CHEK1
SCHEMBL3610301 0.76 DHFR (0.34) TLR8TLR7NPC1RAB9ASMN1; SMN2
SCHEMBL823724 0.75 MKNK2 (0.38) TLR8TLR7PDE4A
SCHEMBL3605738 0.74 DHFR (0.33) TLR8TLR7ALDH1A1DHFR
SCHEMBL3611891 0.74 DHFR (0.33) TLR8TLR7ALDH1A1DHFR
SCHEMBL4574076 0.74 SLC2A1 (0.40) DHFR

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 TLR8 2071/4885TLR7 840/4885NPC1 2663/4885

“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.