SCHEMBL4101508

SCHEMBL4101508

COc1ncc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
NOS1 P29475 2/20 0.38
PIK3CA P42336 7/20 0.37
MTOR P42345 7/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FTO Q9C0B1 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
DHFR P00374 2/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL4100777 0.87 PIK3CA (0.51) MPOTLR8TLR7NOS1PIK3CA
SCHEMBL4102742 0.85 TLR8 (0.38) MPOTLR8TLR7NOS1MTOR
SCHEMBL4107119 0.84 NOS1 (0.48) MPOTLR8TLR7NOS1ALDH1A1
SCHEMBL4097013 0.82 MPO (0.43) MPOTLR8TLR7NOS1PIK3CA
SCHEMBL4109860 0.81 MPO (0.42) MPOTLR8TLR7NOS1PIK3CA
SCHEMBL4106848 0.81 CLK2 (0.51) MPOTLR8TLR7DHFR
SCHEMBL4114210 0.81 ADORA2A (0.44) PIK3CAMTORALDH1A1CYP1A2FTO
SCHEMBL4114040 0.81 MAP4K4 (0.54) TLR8TLR7ALDH1A1SMN1; SMN2DHFR
SCHEMBL4108241 0.81 DHFR (0.47) MPOALDH1A1TSHRSMN1; SMN2DHFR
SCHEMBL4106975 0.81 MPO (0.41) MPOPIK3CAMTORDHFR

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 2952/4885TLR8 936/4885TLR7 503/4885

“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.