SCHEMBL4097650

SCHEMBL4097650

N#CCOc1cccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MAOA P21397 2/20 0.43
MAP4K4 O95819 7/20 0.40
BACE1 P56817 1/20 0.39
DHFR P00374 2/20 0.37
MPO P05164 1/20 0.37
PFKFB3 Q16875 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
NR1H2 P55055 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
SCHEMBL4103587 0.89 GHSR (0.41) MAOBMAOADHFRMPOADORA2A
SCHEMBL4096455 0.85 MAOB (0.49) MAOBMAOAMAP4K4PFKFB3ADORA2A
SCHEMBL4114833 0.85 MAOB (0.46) MAOBMAOAMAP4K4DHFRPFKFB3
SCHEMBL4114040 0.84 MAP4K4 (0.54) MAP4K4DHFRADORA2AADORA2BADORA1
SCHEMBL4114812 0.82 ADORA2A (0.51) MAP4K4MPOADORA2AADORA1
SCHEMBL4106238 0.81 CSF1R (0.42) MAOBMAP4K4BACE1DHFRADORA2A
SCHEMBL4108022 0.81 MAOB (0.44) MAOBMAOADHFRMPO
SCHEMBL4840144 0.80 MAOB (0.40) MAOBMAOAMAP4K4DHFRPFKFB3
SCHEMBL4107899 0.79 PPARA (0.42) MAP4K4DHFR
SCHEMBL4110095 0.79 MAP4K4 (0.46) MAP4K4DHFRMPOADORA2AADORA1

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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD MAOB 409/4885MAOA 764/4885MAP4K4 2166/4885

“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.