SCHEMBL4097615

SCHEMBL4097615

Nc1nc(Cc2ccccc2)c2nc(-c3cc(Br)cc4c3OCC4)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
DHFR P00374 10/20 0.33
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
APP P05067 1/20 0.30
MAP4K4 O95819 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL4106859 0.84 DHFR (0.31) DHFR
SCHEMBL4112130 0.83 MAP4K4 (0.36) DHFRMAP4K4
SCHEMBL4107600 0.77 DYRK1A (0.51) MPOMAP4K4
SCHEMBL4106915 0.77 MPO (0.43) MPODHFRTLR8TLR7APP
SCHEMBL4110107 0.72 MPO (0.44) MPODHFRTLR8TLR7
SCHEMBL4107364 0.72 MPO (0.41) MPODHFRTLR8TLR7APP
SCHEMBL4106273 0.72 ADORA2A (0.46) MPOMAP4K4
SCHEMBL4110219 0.71 MPO (0.43) MPODHFRTLR8TLR7
SCHEMBL4107954 0.70 MPO (0.47) MPODHFRTLR8TLR7APP
SCHEMBL4101825 0.70 ADORA2A (0.45) MPOMAP4K4

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 MPO 2952/4885DHFR 145/4885TLR8 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.