SCHEMBL4097651

SCHEMBL4097651

COc1ccc(C=O)c(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.41
PLA2G2A P14555 1/20 0.40
LTB4R Q15722 1/20 0.40
APP P05067 2/20 0.39
TLR8 Q9NR97 3/20 0.39
TLR7 Q9NYK1 3/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MPO P05164 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP19A1 P11511 1/20 0.37
HTT P42858 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37

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
SCHEMBL4097223 0.86 MPO (0.40) DHFRAPPTLR8TLR7ALDH1A1
SCHEMBL4106331 0.85 DHFR (0.39) DHFRTLR8TLR7ALDH1A1CYP2D6
SCHEMBL4110107 0.84 MPO (0.44) DHFRLTB4RTLR8TLR7MPO
SCHEMBL4097697 0.83 ADORA2A (0.47) DHFRALDH1A1HPGDKMT2AMEN1
SCHEMBL4107119 0.82 NOS1 (0.48) DHFRAPPTLR8TLR7ALDH1A1
SCHEMBL4114040 0.82 MAP4K4 (0.54) DHFRLTB4RAPPTLR8TLR7
SCHEMBL4112267 0.82 DHFR (0.39) DHFRAPPTLR8TLR7ALDH1A1
SCHEMBL4115581 0.80 NOS1 (0.41) DHFRAPPTLR8TLR7ALDH1A1
SCHEMBL4110147 0.78 HSP90AA1 (0.39) DHFRAPPTLR8TLR7MAPT
SCHEMBL4107202 0.77 MPO (0.39) DHFRTLR8TLR7ALDH1A1KMT2A

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 3 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
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

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 DHFR 145/4885PLA2G2A 3754/4885LTB4R 1563/4885

“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.