SCHEMBL4097217

SCHEMBL4097217

CSc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.44
NUDT1 P36639 2/20 0.44
ALDH1A3 P47895 1/20 0.41
MAP4K4 O95819 1/20 0.41
DHODH Q02127 1/20 0.39
ADORA1 P30542 5/20 0.39
HSP90AB1 P08238 3/20 0.38
HSP90AA1 P07900 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MKNK2 Q9HBH9 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
SCHEMBL4097472 0.87 ADORA2A (0.53) ADORA2ANUDT1MAP4K4ADORA1HSP90AA1
SCHEMBL4114294 0.87 MAP4K4 (0.48) ADORA2ANUDT1MAP4K4DHODHADORA1
SCHEMBL4097613 0.82 ADORA2A (0.60) ADORA2ANUDT1MAP4K4DHODHADORA1
SCHEMBL4103481 0.82 ADORA2A (0.44) ADORA2ANUDT1MAP4K4ADORA1HSP90AB1
SCHEMBL4108639 0.82 ADORA2A (0.63) ADORA2ANUDT1ADORA1KDM4EKMT2A
SCHEMBL4107594 0.82 ADORA2A (0.44) ADORA2ANUDT1MAP4K4DHODHADORA1
SCHEMBL4096413 0.82 ADORA2A (0.44) ADORA2ANUDT1MAP4K4ADORA1HSP90AB1
SCHEMBL4107621 0.82 ATR (0.45) ADORA2ANUDT1MAP4K4ADORA1HSP90AB1
SCHEMBL4113320 0.81 ADORA2A (0.58) ADORA2ANUDT1ALDH1A3MAP4K4DHODH
SCHEMBL4110099 0.81 ADORA2A (0.52) ADORA2ANUDT1MAP4K4ADORA1HSP90AA1

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
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

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 8/4885ALDH1A3 2032/4885

“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.