SCHEMBL4097013

SCHEMBL4097013

Nc1ccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
FYN P06241 1/20 0.40
DHFR P00374 6/20 0.38
ATM Q13315 1/20 0.36
MAP4K4 O95819 1/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
NOS1 P29475 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
LTA4H P09960 1/20 0.35
LTB4R Q15722 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4109860 0.89 MPO (0.42) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4097181 0.88 MPO (0.41) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4108245 0.88 MPO (0.41) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4101754 0.88 MPO (0.41) MPONPC1RAB9ADHFRMAP4K4
SCHEMBL4113790 0.86 MPO (0.48) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4102317 0.85 LOXL2 (0.41) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4100777 0.85 PIK3CA (0.51) MPOTLR8TLR7NOS1PIK3CA
SCHEMBL4106975 0.83 MPO (0.41) MPODHFRMAP4K4PIK3CAMTOR
SCHEMBL4106974 0.83 MPO (0.43) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4105813 0.82 MPO (0.45) MPODHFRMAP4K4TLR8TLR7

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 2952/4885MEN1 4569/4885NPC1 1907/4885

“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.