SCHEMBL4534770

SCHEMBL4534770

CC(=O)Nc1nc(NCCCS(C)(=O)=O)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.39
TLR7 Q9NYK1 3/20 0.39
ACHE P22303 3/20 0.38
PIK3CA P42336 3/20 0.37
MTOR P42345 2/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 1/20 0.37
TDO2 P48775 1/20 0.36
APP P05067 1/20 0.35
CA9 Q16790 3/20 0.34
CA2 P00918 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
SCN9A Q15858 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ADORA1 P30542 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8252450 0.94 ACHE (0.39) TLR8TLR7ACHEPIK3CAMTOR
SCHEMBL4565682 0.87 TLR8 (0.45) TLR8TLR7ACHEADORA3ADORA2A
SCHEMBL4531314 0.84 TLR8 (0.53) TLR8TLR7
SCHEMBL4537447 0.84 ADORA3 (0.45) TLR8TLR7ACHEPIK3CAMTOR
SCHEMBL4525792 0.83 ACHE (0.40) TLR8TLR7ACHEADORA3ADORA2A
SCHEMBL4566109 0.81 ADORA3 (0.40) ACHEPIK3CAMTORADORA3ADORA2A
SCHEMBL5116062 0.80 PTGS2 (0.46) TLR8TLR7ADORA2ASMN1; SMN2
SCHEMBL4533809 0.79 ACHE (0.59) ACHEPIK3CAADORA3APPADORA1
SCHEMBL8252482 0.78 L3MBTL1 (0.38) ACHEADORA3ADORA2AIKBKBCHUK
SCHEMBL4526021 0.77 MAP4K4 (0.45) PIK3CAMTORADORA3ADORA2ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO TLR8 1791/4885TLR7 851/4885ACHE 4292/4885

“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.