SCHEMBL4104424

SCHEMBL4104424

Nc1nc(-c2ccccc2)c2nc(-c3ccnc(Cl)c3)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.57
ADORA1 P30542 9/20 0.57
MAP4K4 O95819 4/20 0.51
NUDT1 P36639 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AURKA O14965 1/20 0.40
PRKACA P17612 1/20 0.40
MINK1 Q8N4C8 1/20 0.39
TNIK Q9UKE5 1/20 0.39
CYP19A1 P11511 1/20 0.38
ADORA2B P29275 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
SCHEMBL4110099 0.81 ADORA2A (0.52) ADORA2AADORA1MAP4K4NUDT1HSP90AA1
SCHEMBL4108350 0.81 MAP4K4 (0.44) ADORA2AADORA1MAP4K4HSP90AA1HSP90AB1
SCHEMBL4113727 0.81 MAP4K4 (0.46) ADORA2AADORA1MAP4K4NUDT1HSP90AA1
SCHEMBL4097472 0.80 ADORA2A (0.53) ADORA2AADORA1MAP4K4NUDT1HSP90AA1
SCHEMBL4097655 0.79 CYP1A1 (0.57) ADORA2AADORA1MAP4K4NUDT1KDM4E
SCHEMBL4100786 0.78 ADORA2A (0.54) ADORA2AADORA1MAP4K4NUDT1HSP90AA1
SCHEMBL4107592 0.77 MAP4K4 (0.40) ADORA2AADORA1MAP4K4NUDT1HSP90AA1
SCHEMBL4107532 0.77 MAP4K4 (0.40) ADORA2AADORA1MAP4K4NUDT1HSP90AA1
SCHEMBL4100790 0.77 MAP4K4 (0.45) ADORA2AADORA1MAP4K4NUDT1HSP90AA1
SCHEMBL4112706 0.77 HRH4 (0.51) ADORA2AADORA1KDM4E

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 165/4885ADORA1 163/4885MAP4K4 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.