SCHEMBL4095685

SCHEMBL4095685

COc1ccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
NOS1 P29475 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GRK6 P43250 1/20 0.38

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
SCHEMBL4096246 0.87 MAPT (0.43) MAPTMEN1KMT2APOLB
SCHEMBL4103548 0.85 ALOX15 (0.37) MAPK1GRK6
SCHEMBL4102225 0.85 SMN1; SMN2 (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4115581 0.84 NOS1 (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4107522 0.84 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4114223 0.83 NOS1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9ANOS1
SCHEMBL4097634 0.82 PDE4A (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4105739 0.81 GAA (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4113298 0.81 PTPN1 (0.48) MAPTALDH1A1MEN1KMT2A
SCHEMBL4111985 0.81 APP (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 MAPT 1752/4885ALDH1A1 1721/4885SMN1; SMN2 2079/4885

“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.