SCHEMBL3605187

SCHEMBL3605187

COC[C@H](C)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.45
DCPS Q96C86 2/20 0.45
MCHR1 Q99705 1/20 0.39
MAP4K4 O95819 5/20 0.34
TLR7 Q9NYK1 2/20 0.33
TLR8 Q9NR97 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.33
SLC2A1 P11166 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3609927 1.00 DHFR (0.45) DHFRDCPSMCHR1MAP4K4TLR7
SCHEMBL3610299 0.89 MCHR1 (0.41) DHFRDCPSMCHR1MAP4K4TLR7
SCHEMBL4106500 0.88 SLC2A1 (0.44) DHFRMCHR1MAP4K4TLR7TLR8
SCHEMBL3603368 0.87 KDM4E (0.34) DHFRDCPSMAP4K4TLR7TLR8
SCHEMBL4119298 0.86 MAP4K4 (0.39) DHFRMAP4K4TLR7TLR8NPC1
SCHEMBL14139815 0.85 DHFR (0.34) DHFRMAP4K4TLR7TLR8MAPT
SCHEMBL3610864 0.85 DHFR (0.39) DHFRDCPSTLR7TLR8KDM4E
SCHEMBL3608300 0.85 DHFR (0.39) DHFRDCPSTLR7TLR8KDM4E
SCHEMBL3613246 0.83 DHFR (0.37) DHFRMCHR1MAP4K4TLR7TLR8
SCHEMBL3609932 0.83 DHFR (0.35) DHFRMAP4K4TLR7TLR8MAPT

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 8 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-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
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
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 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 DHFR 37/4885DCPS 1647/4885MCHR1 2742/4885

“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.