SCHEMBL4100958

SCHEMBL4100958

Cc1cc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)cnc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
GRM5 P41594 1/20 0.35
MAP4K4 O95819 4/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
DHFR P00374 4/20 0.34
ADORA2A P29274 1/20 0.34
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK14 Q16539 1/20 0.33
APP P05067 1/20 0.33
PLA2G2A P14555 1/20 0.32
NOS1 P29475 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
SCHEMBL4106654 0.87 MPO (0.41) MPOMAP4K4TLR8TLR7DHFR
SCHEMBL4102838 0.87 MAP4K4 (0.40) MPOMAP4K4TLR8TLR7DHFR
SCHEMBL4113912 0.84 MAP4K4 (0.35) MAP4K4TLR8TLR7DHFR
SCHEMBL4113317 0.82 ADORA2A (0.43) MPOMAP4K4TLR8TLR7DHFR
SCHEMBL4103447 0.82 MPO (0.41) MPOMAP4K4TLR8TLR7DHFR
SCHEMBL4106975 0.82 MPO (0.41) MPOMAP4K4DHFR
SCHEMBL4103154 0.82 ADORA2A (0.44) MAP4K4DHFRADORA2ALCKKDR
SCHEMBL4097181 0.82 MPO (0.41) MPOMAP4K4TLR8TLR7DHFR
SCHEMBL4097013 0.80 MPO (0.43) MPOMAP4K4TLR8TLR7DHFR
SCHEMBL4105813 0.79 MPO (0.45) MPOMAP4K4TLR8TLR7DHFR

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 2952/4885GRM5 3522/4885MAP4K4 2166/4885

“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.