SCHEMBL4096401

SCHEMBL4096401

Nc1nc(-c2ccccc2)c2nc(-c3csc4ccccc34)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.48
NUDT1 P36639 1/20 0.48
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
KDM1A O60341 1/20 0.39
C1S P09871 1/20 0.38
MAOB P27338 1/20 0.37
MAP4K4 O95819 1/20 0.36
SCN9A Q15858 1/20 0.36
TNK2 Q07912 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
SCHEMBL4102531 0.80 MPO (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4102421 0.80 ADORA2A (0.45) ADORA2ANUDT1MAP4K4
SCHEMBL4102160 0.80 ADORA2A (0.53) ADORA2ANUDT1MAP4K4
SCHEMBL4102879 0.78 SSTR3 (0.38) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4113377 0.77 ADORA2A (0.49) ADORA2ANUDT1MAP4K4SCN9A
SCHEMBL4097472 0.76 ADORA2A (0.53) ADORA2ANUDT1MAP4K4
SCHEMBL4110099 0.75 ADORA2A (0.52) ADORA2ANUDT1MAP4K4
SCHEMBL4104543 0.74 ADORA2A (0.47) ADORA2ANUDT1MAP4K4
SCHEMBL4107621 0.73 ATR (0.45) ADORA2ANUDT1MAP4K4
SCHEMBL4112741 0.73 ADORA2A (0.44) ADORA2ANUDT1MAP4K4

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 8/4885SSTR1 3644/4885

“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.