SCHEMBL3608300

SCHEMBL3608300

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.39
DCPS Q96C86 2/20 0.39
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHEK1 O14757 1/20 0.36
GCK P35557 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
BTK Q06187 1/20 0.35
LDHA P00338 1/20 0.34
LDHB P07195 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
SCHEMBL3610864 1.00 DHFR (0.39) DHFRDCPSTLR8TLR7KDM4E
SCHEMBL3605187 0.85 DHFR (0.45) DHFRDCPSTLR8TLR7KDM4E
SCHEMBL3609927 0.85 DHFR (0.45) DHFRDCPSTLR8TLR7KDM4E
SCHEMBL3608295 0.84 TLR8 (0.38) DHFRTLR8TLR7KDM4EALDH1A1
SCHEMBL3610866 0.84 TLR8 (0.38) DHFRTLR8TLR7KDM4EALDH1A1
SCHEMBL823724 0.77 MKNK2 (0.38) TLR8TLR7
SCHEMBL823773 0.76 MKNK2 (0.46)
SCHEMBL823683 0.75 MKNK2 (0.46) KDM4E
SCHEMBL3611888 0.75 DHFR (0.42) DHFRDCPSTLR8TLR7KDM4E
SCHEMBL3605734 0.75 DHFR (0.42) DHFRDCPSTLR8TLR7KDM4E

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 37/4885DCPS 1647/4885TLR8 2071/4885

“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.