SCHEMBL845183

SCHEMBL845183

Nc1nc(OC2CCOC2)c2nc(Nc3ccccc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 12/20 0.53
IRAK4 Q9NWZ3 1/20 0.43
FFAR2 O15552 2/20 0.38
GRM4 Q14833 1/20 0.36

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
SCHEMBL845184 0.83 GRM5 (0.41) IRAK4FFAR2GRM4
SCHEMBL825987 0.78 LRRK2 (0.38) DHFRIRAK4FFAR2GRM4
SCHEMBL823779 0.78 LRRK2 (0.38) DHFRIRAK4FFAR2GRM4
SCHEMBL4421609 0.75 MTOR (0.38) DHFRFFAR2GRM4
SCHEMBL823795 0.73 MTOR (0.44) DHFR
SCHEMBL825900 0.73 MTOR (0.44) DHFR
SCHEMBL3605007 0.73 HDAC1 (0.39) DHFRFFAR2GRM4
SCHEMBL3609814 0.73 HDAC1 (0.39) DHFRFFAR2GRM4
SCHEMBL13500401 0.73 HDAC1 (0.39) DHFRFFAR2GRM4
SCHEMBL845983 0.72 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 32/4885IRAK4 2776/4885FFAR2 3608/4885

“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.