SCHEMBL4097541

SCHEMBL4097541

Nc1nc(-c2ccccc2)c2nc(-c3cccc4c3oc3ccccc34)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.45
NUDT1 P36639 1/20 0.45
ALOX5 P09917 2/20 0.38
MEN1 O00255 1/20 0.37
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
MAPT P10636 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAP4K4 O95819 1/20 0.37
ADORA1 P30542 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL4107973 0.82 MPO (0.39) ALOX5MAPTHRH4
SCHEMBL4102160 0.82 ADORA2A (0.53) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL4103188 0.80 PDE10A (0.36) ALOX5HRH4
SCHEMBL24218082 0.77 ADORA2A (0.54) ADORA2AALOX5MEN1MAPTKMT2A
SCHEMBL4097814 0.76 ATR (0.47) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL15582211 0.76 ALOX5 (0.48) ALOX5MEN1MAPTKMT2A
SCHEMBL4102421 0.75 ADORA2A (0.45) ADORA2ANUDT1ALOX5MAP4K4ADORA1
SCHEMBL20834284 0.75 KMT2A (0.50) ADORA2AALOX5MEN1CSF1RPDGFRB
SCHEMBL15582229 0.75 ALOX5 (0.47) ALOX5MEN1MAPTKMT2A
SCHEMBL23384890 0.74 MEN1 (0.45) ADORA2ANUDT1ALOX5MEN1CSF1R

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 165/4885NUDT1 8/4885ALOX5 498/4885

“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.