SCHEMBL4103402

SCHEMBL4103402

Nc1nc(-c2ccccc2)c2nc(-c3ccccc3S(N)(=O)=O)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.44
ADORA1 P30542 4/20 0.44
NUDT1 P36639 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
TRPV1 Q8NER1 2/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
MAP4K4 O95819 1/20 0.37
F10 P00742 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4103405 0.81 CA2 (0.60) ADORA2AADORA1NUDT1TDP1CA12
SCHEMBL4102297 0.80 ADORA2A (0.44) ADORA2AADORA1NUDT1TRPV1ALOX5AP
SCHEMBL4106957 0.80 MPO (0.41) CA12CA1CA2CA9TRPV1
SCHEMBL4112741 0.80 ADORA2A (0.44) ADORA2AADORA1NUDT1TDP1MAP4K4
SCHEMBL4102160 0.78 ADORA2A (0.53) ADORA2AADORA1NUDT1MAP4K4
SCHEMBL4101899 0.77 ALOX5AP (0.36) CA12CA1CA2CA7CA9
SCHEMBL4107621 0.77 ATR (0.45) ADORA2AADORA1NUDT1MAP4K4LMNA
SCHEMBL4097472 0.77 ADORA2A (0.53) ADORA2AADORA1NUDT1TDP1MAP4K4
SCHEMBL4108001 0.77 MEN1 (0.50) ADORA2AADORA1NUDT1TDP1MAP4K4
SCHEMBL4114919 0.76 ATR (0.44) ADORA2AADORA1NUDT1MAP4K4

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 163/4885NUDT1 8/4885

“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.