SCHEMBL4096455

SCHEMBL4096455

N#CCOc1cccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
ADORA2A P29274 8/20 0.46
ADORA1 P30542 6/20 0.46
ADORA2B P29275 2/20 0.46
MAOA P21397 2/20 0.46
MAP4K4 O95819 6/20 0.43
PFKFB3 Q16875 1/20 0.38

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
SCHEMBL4101040 0.89 ADORA2A (0.44) MAOBADORA2AADORA1ADORA2BMAOA
SCHEMBL4097650 0.85 MAOB (0.46) MAOBADORA2AADORA1ADORA2BMAOA
SCHEMBL4114833 0.82 MAOB (0.46) MAOBMAOAMAP4K4PFKFB3
SCHEMBL4101150 0.82 ADORA2A (0.63) ADORA2AADORA1ADORA2BMAP4K4
SCHEMBL4113347 0.81 MAOB (0.45) MAOBADORA2AADORA1MAOA
SCHEMBL4107186 0.79 ADORA2A (0.63) ADORA2AADORA1ADORA2BMAP4K4
SCHEMBL4106802 0.79 CSF1R (0.41) MAOBADORA2AADORA1ADORA2BMAOA
SCHEMBL4095698 0.78 F9 (0.44) ADORA2AMAP4K4
SCHEMBL4840144 0.77 MAOB (0.40) MAOBMAOAMAP4K4PFKFB3
SCHEMBL4775381 0.77 MAOB (0.43) MAOBADORA2AADORA1MAOA

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 409/4885ADORA2A 165/4885ADORA1 163/4885

“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.