SCHEMBL4100952

SCHEMBL4100952

Nc1nc(Cc2ccc(Br)cc2)c2nc(Cl)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.47
HSP90AB1 P08238 1/20 0.38
APP P05067 1/20 0.37
MPO P05164 1/20 0.37
PABPC1 P11940 1/20 0.34
EPHX2 P34913 1/20 0.34
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL4096477 0.88 HSP90AB1 (0.50) DHFRHSP90AB1APPMPO
SCHEMBL4112619 0.86 DHFR (0.47) DHFRHSP90AB1APPMPOTLR8
SCHEMBL4106925 0.86 DHFR (0.47) DHFRHSP90AB1APPMPOTLR8
SCHEMBL4115070 0.85 MPO (0.51) DHFRMPOTLR8TLR7
SCHEMBL4102709 0.84 APP (0.43) DHFRAPPMPOTLR8TLR7
SCHEMBL4115396 0.82 DHFR (0.50) DHFRAPPTLR8TLR7
SCHEMBL4113655 0.79 DHFR (0.37) DHFRMPOTLR8TLR7
SCHEMBL4107224 0.78 MAP4K4 (0.45) DHFRAPPMPO
SCHEMBL4112121 0.77 DHFR (0.41) DHFRAPPTLR8TLR7
SCHEMBL4106480 0.76 TLR8 (0.48) DHFRAPPMPOTLR8TLR7

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 DHFR 145/4885HSP90AB1 4606/4885APP 2339/4885

“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.