SCHEMBL4095548

SCHEMBL4095548

Nc1nc(Cc2ccccc2)c2nc(-c3ccccc3CN3CCOCC3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
NPC1 O15118 1/20 0.39
MPO P05164 2/20 0.38
PIK3CD O00329 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP2A13 Q16696 4/20 0.38
MAPT P10636 1/20 0.38
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DHODH Q02127 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
SCHEMBL4102746 0.86 ADORA2A (0.43) ADORA2AADORA1TLR8TLR7MPO
SCHEMBL4103382 0.84 ADORA2A (0.59) ADORA2AADORA1MPOPDE10ACYP2A13
SCHEMBL4113387 0.78 KDM4E (0.51) ADORA2AADORA1NPC1MAPT
SCHEMBL4115093 0.78 MAPT (0.39) TLR8TLR7MPOMAPTDRD1
SCHEMBL4115088 0.76 MAPT (0.39) TLR8TLR7MPOMAPTDRD1
SCHEMBL4106229 0.74 MKNK2 (0.51) TLR8TLR7NPC1
SCHEMBL4107954 0.74 MPO (0.47) ADORA2ATLR8TLR7MPO
SCHEMBL4110107 0.74 MPO (0.44) TLR8TLR7MPO
SCHEMBL4103505 0.74 ATR (0.53) NPC1MAPT
SCHEMBL4112832 0.73 HTR6 (0.45) MPO

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 163/4885TLR8 936/4885

“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.