SCHEMBL826092

SCHEMBL826092

CCOc1nc(N)nc2ccc(-c3cc(C(N)=O)ccc3CC(C)S(=O)(=O)O)nc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.36
HRH4 Q9H3N8 2/20 0.35
AGPAT2 O15120 1/20 0.34
RPS27 P42677 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK1 P28482 1/20 0.32
DHFR P00374 1/20 0.32
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL826074 0.84 CHEK2 (0.39) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL825682 0.82 CHEK2 (0.35) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL825976 0.80 CHEK2 (0.36) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL825914 0.78 CHEK2 (0.34) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL4425330 0.76 CHEK2 (0.45) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL4414487 0.76 MAP4K4 (0.45) CHEK2MAPK8DHFR
SCHEMBL823762 0.70 MKNK2 (0.47)
SCHEMBL823648 0.68 HPGD (0.50) MAPK8
SCHEMBL4412814 0.68 MET (0.40) CHEK2MAPK1
SCHEMBL823761 0.67 MKNK2 (0.38) CHEK2AGPAT2MAPK8DHFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP CHEK2 1401/4885HRH4 1956/4885AGPAT2 2359/4885

“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.