SCHEMBL4112985

SCHEMBL4112985

Nc1nc(-c2ccccc2)c2nc(-c3ccc(CO)cc3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.44
NUDT1 P36639 3/20 0.44
MAP4K4 O95819 1/20 0.41
ADORA1 P30542 6/20 0.41
ADORA3 P0DMS8 1/20 0.41
FYN P06241 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
BRAF P15056 1/20 0.39
ATR Q13535 1/20 0.38
DHFR P00374 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL4097472 0.87 ADORA2A (0.53) ADORA2ANUDT1MAP4K4ADORA1DHFR
SCHEMBL4103578 0.87 MAP4K4 (0.48) ADORA2ANUDT1MAP4K4ADORA1ADORA3
SCHEMBL4106928 0.84 DHODH (0.43) ADORA2ANUDT1MAP4K4ADORA1DHFR
SCHEMBL4102465 0.83 NUDT1 (0.49) ADORA2ANUDT1DHFR
SCHEMBL4102168 0.83 DHFR (0.46) ADORA2ANUDT1DHFRMKNK2
SCHEMBL4107746 0.83 ADORA2A (0.42) ADORA2ANUDT1MAP4K4ADORA1DHFR
SCHEMBL4097613 0.82 ADORA2A (0.60) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL4114237 0.82 MAP4K4 (0.41) ADORA2ANUDT1MAP4K4ADORA1DHFR
SCHEMBL4106793 0.82 MPO (0.44) ADORA2AMAP4K4ADORA1ADORA3FYN
SCHEMBL4113320 0.81 ADORA2A (0.58) ADORA2ANUDT1MAP4K4ADORA1

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 4 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
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 165/4885NUDT1 8/4885MAP4K4 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.