SCHEMBL4103447

SCHEMBL4103447

Cc1cncc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
CYP11B1 P15538 7/20 0.40
CYP11B2 P19099 7/20 0.40
CYP3A4 P08684 1/20 0.40
TLR7 Q9NYK1 5/20 0.38
MAP4K4 O95819 1/20 0.38
TLR8 Q9NR97 3/20 0.37
DHFR P00374 4/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL4107364 0.86 MPO (0.41) MPOCYP3A4TLR7MAP4K4TLR8
SCHEMBL4102838 0.82 MAP4K4 (0.40) MPOTLR7MAP4K4TLR8DHFR
SCHEMBL4100958 0.82 MPO (0.39) MPOTLR7MAP4K4TLR8DHFR
SCHEMBL4106654 0.82 MPO (0.41) MPOTLR7MAP4K4TLR8DHFR
SCHEMBL4097719 0.82 MAP4K4 (0.37) CYP11B1CYP11B2TLR7MAP4K4TLR8
SCHEMBL4109827 0.82 MPO (0.46) MPOCYP11B1CYP11B2CYP3A4TLR7
SCHEMBL4106975 0.81 MPO (0.41) MPOMAP4K4DHFR
SCHEMBL4113317 0.81 ADORA2A (0.43) MPOTLR7MAP4K4TLR8DHFR
SCHEMBL4113790 0.81 MPO (0.48) MPOCYP3A4TLR7MAP4K4TLR8
SCHEMBL4097594 0.81 MPO (0.43) MPOTLR7TLR8DHFRAPP

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 2952/4885CYP11B1 1155/4885CYP11B2 988/4885

“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.