SCHEMBL845448

SCHEMBL845448

CCOCCCOc1nc(N)nc2ccc(Nc3ccccc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 14/20 0.56
RPS27 P42677 1/20 0.39
MAPK8 P45983 1/20 0.39
BCL6 P41182 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL846340 0.98 DHFR (0.56) DHFRRPS27MAPK8BCL6ROCK1
SCHEMBL846541 0.94 DHFR (0.57) DHFRRPS27MAPK8BCL6ROCK1
SCHEMBL845207 0.88 DHFR (0.64) DHFRRPS27MAPK8BCL6ROCK1
SCHEMBL846268 0.87 DHFR (0.56) DHFRBCL6ROCK1
SCHEMBL845756 0.85 DHFR (0.60) DHFRBCL6ROCK1
SCHEMBL845449 0.82 NPC1 (0.41) DHFR
SCHEMBL4785021 0.82 DHFR (0.58) DHFR
SCHEMBL846568 0.77 DHFR (0.58) DHFR
SCHEMBL846542 0.77 NPC1 (0.42) DHFR
SCHEMBL845983 0.76 DHFR (0.64) 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 32/4885RPS27 3382/4885MAPK8 3434/4885

“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.