SCHEMBL4524470

SCHEMBL4524470

CCNc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.52
TLR7 Q9NYK1 13/20 0.52
MAP4K4 O95819 1/20 0.50
NLRP3 Q96P20 3/20 0.48
APP P05067 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4565184 0.87 TLR8 (0.64) TLR8TLR7
SCHEMBL4520421 0.84 MAP4K4 (0.50) TLR8TLR7MAP4K4NLRP3
SCHEMBL4532171 0.84 TLR7 (0.56) TLR8TLR7
SCHEMBL4525426 0.84 TLR8 (0.44) TLR8TLR7MAP4K4NLRP3APP
SCHEMBL4565057 0.84 TLR8 (0.44) TLR8TLR7MAP4K4APP
SCHEMBL4525416 0.82 MAP4K4 (0.50) TLR8TLR7MAP4K4APPKCNH2
SCHEMBL4531314 0.81 TLR8 (0.53) TLR8TLR7
SCHEMBL5121413 0.81 MAP4K4 (0.47) TLR8TLR7MAP4K4APP
SCHEMBL4095651 0.80 DHFR (0.43) TLR8TLR7MAP4K4KCNH2
SCHEMBL4101030 0.80 DHFR (0.41) TLR8TLR7MAP4K4KCNH2

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-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-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 851/4885MAP4K4 3289/4885

“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.