SCHEMBL3609932

SCHEMBL3609932

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.35
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
RAB9A P51151 2/20 0.33
ADORA2A P29274 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 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
KDM4E B2RXH2 1/20 0.33
SLC2A1 P11166 1/20 0.33
MAP4K4 O95819 2/20 0.33
KCNH2 Q12809 1/20 0.32
GAK O14976 1/20 0.32
SCN9A Q15858 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL3605191 1.00 DHFR (0.35) DHFRTLR8TLR7RAB9AADORA2A
SCHEMBL3610301 0.91 DHFR (0.34) DHFRTLR8TLR7RAB9AADORA2A
SCHEMBL3613246 0.89 DHFR (0.37) DHFRTLR8TLR7RAB9AADORA2A
SCHEMBL4106500 0.87 SLC2A1 (0.44) DHFRTLR8TLR7RAB9AADORA2A
SCHEMBL3610866 0.84 TLR8 (0.38) DHFRTLR8TLR7RAB9ANPC1
SCHEMBL3608295 0.84 TLR8 (0.38) DHFRTLR8TLR7RAB9ANPC1
SCHEMBL4119298 0.84 MAP4K4 (0.39) DHFRTLR8TLR7RAB9AADORA2A
SCHEMBL3602768 0.83 DHFR (0.33) DHFRTLR8TLR7ADORA2AKDM4E
SCHEMBL3609927 0.83 DHFR (0.45) DHFRTLR8TLR7RAB9AADORA2A
SCHEMBL3605187 0.83 DHFR (0.45) DHFRTLR8TLR7RAB9AADORA2A

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 DHFR 37/4885TLR8 2071/4885TLR7 840/4885

“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.