SCHEMBL845756

SCHEMBL845756

COCCOc1nc(N)nc2ccc(Nc3ccccc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 0.60
TSHR P16473 1/20 0.43
BCL6 P41182 1/20 0.42
ROCK1 Q13464 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL846541 0.88 DHFR (0.57) DHFRBCL6ROCK1
SCHEMBL846268 0.87 DHFR (0.56) DHFRBCL6ROCK1
SCHEMBL845207 0.86 DHFR (0.64) DHFRBCL6ROCK1
SCHEMBL846340 0.85 DHFR (0.56) DHFRBCL6ROCK1
SCHEMBL845448 0.85 DHFR (0.56) DHFRBCL6ROCK1
SCHEMBL845757 0.82 NPC1 (0.44) DHFRTSHRTLR8TLR7
SCHEMBL4534010 0.79 TSHR (0.46) TSHRTLR8TLR7
SCHEMBL845983 0.79 DHFR (0.64) DHFR
SCHEMBL845754 0.79 DHFR (0.64) DHFR
SCHEMBL846568 0.78 DHFR (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 DHFR 32/4885TSHR 3896/4885BCL6 865/4885

“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.