SCHEMBL4097181

SCHEMBL4097181

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(F)nc3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
MAPT P10636 2/20 0.37
DHODH Q02127 1/20 0.37
DHFR P00374 6/20 0.36
MAP4K4 O95819 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
NOS1 P29475 1/20 0.34
JAK2 O60674 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
GSK3A P49840 1/20 0.34
RPS6KA3 P51812 1/20 0.34
LIMK1 P53667 1/20 0.34
MAP2K1 Q02750 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPK14 Q16539 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ALK Q9UM73 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL4097013 0.88 MPO (0.43) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4109860 0.87 MPO (0.42) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4101754 0.86 MPO (0.41) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4108245 0.86 MPO (0.41) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4105813 0.85 MPO (0.45) MPODHODHDHFRMAP4K4TLR8
SCHEMBL4113790 0.84 MPO (0.48) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4100777 0.83 PIK3CA (0.51) MPOTLR8TLR7NOS1KDR
SCHEMBL4102317 0.83 LOXL2 (0.41) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4100958 0.82 MPO (0.39) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4106975 0.81 MPO (0.41) MPODHFRMAP4K4DYRK1APIK3CA

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 2952/4885MAPT 1752/4885DHODH 61/4885

“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.