SCHEMBL4101150

SCHEMBL4101150

COc1cccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.63
MAP4K4 O95819 3/20 0.59
ADORA1 P30542 6/20 0.57
ADORA2B P29275 2/20 0.57
TOP1 P11387 1/20 0.50
PIK3CG P48736 1/20 0.49
GAK O14976 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
DHFR P00374 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL4108639 0.87 ADORA2A (0.63) ADORA2AADORA1ADORA2B
SCHEMBL4097044 0.83 ADORA1 (0.46) ADORA2AMAP4K4ADORA1DHFR
SCHEMBL4097602 0.82 ADORA2A (0.59) ADORA2AADORA1DHFR
SCHEMBL4114040 0.82 MAP4K4 (0.54) ADORA2AMAP4K4ADORA1ADORA2BTOP1
SCHEMBL4097655 0.82 CYP1A1 (0.57) ADORA2AMAP4K4ADORA1DHFRMAPT
SCHEMBL4096455 0.82 MAOB (0.49) ADORA2AMAP4K4ADORA1ADORA2B
SCHEMBL4097697 0.82 ADORA2A (0.47) ADORA2AMAP4K4ADORA1ADORA2BDHFR
SCHEMBL4101625 0.81 POLB (0.51) ADORA2AMAP4K4ADORA1MAPT
SCHEMBL4107341 0.81 GABRG2 (0.47) ADORA2AMAP4K4DHFRMAPT
SCHEMBL4107610 0.81 SCN9A (0.53) ADORA2AMAP4K4ADORA1MAPT

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 ADORA2A 165/4885MAP4K4 2166/4885ADORA1 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.