SCHEMBL4100741

SCHEMBL4100741

CCCCc1ccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.46
TLR8 Q9NR97 4/20 0.46
DHFR P00374 6/20 0.44
DHODH Q02127 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MPO P05164 1/20 0.41
PSMB5 P28074 1/20 0.40
NUDT1 P36639 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL4096087 0.87 RAB9A (0.45) TLR7TLR8DHFRDHODHNPC1
SCHEMBL4113790 0.85 MPO (0.48) TLR7TLR8DHFRMPO
SCHEMBL4102465 0.84 NUDT1 (0.49) TLR7TLR8DHFRDHODHNPC1
SCHEMBL4106793 0.83 MPO (0.44) TLR7TLR8DHFRMPO
SCHEMBL4102036 0.83 MPO (0.41) TLR7TLR8DHFRDHODHMPO
SCHEMBL4103501 0.82 MPO (0.43) TLR7TLR8DHFRMPO
SCHEMBL4105813 0.82 MPO (0.45) TLR7TLR8DHFRDHODHTP53
SCHEMBL4115538 0.81 MPO (0.42) TLR7TLR8DHFRMPO
SCHEMBL4102280 0.81 DHFR (0.44) TLR7TLR8DHFRDHODHRAB9A
SCHEMBL4107119 0.81 NOS1 (0.48) TLR7TLR8DHFRNPC1RAB9A

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 TLR7 503/4885TLR8 936/4885DHFR 145/4885

“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.