SCHEMBL4565682

SCHEMBL4565682

CCCCCNc1nc(NC(C)=O)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.45
TLR7 Q9NYK1 9/20 0.45
ACHE P22303 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
KCNH3 Q9ULD8 1/20 0.39
ADORA2A P29274 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
F2RL1 P55085 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TRIM58 Q8NG06 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AXL P30530 1/20 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
SCHEMBL4537447 0.88 ADORA3 (0.45) TLR8TLR7ACHEADORA3ADORA2A
SCHEMBL4534770 0.87 TLR8 (0.39) TLR8TLR7ACHEADORA3ADORA2A
SCHEMBL4525792 0.86 ACHE (0.40) TLR8TLR7ACHEADORA3KCNH3
SCHEMBL8252450 0.85 ACHE (0.39) TLR8TLR7ACHEADORA3ADORA2A
SCHEMBL4279543 0.84 ACHE (0.49) TLR8TLR7ACHEADORA3ALDH1A1
SCHEMBL4566109 0.83 ADORA3 (0.40) ACHEADORA3ADORA2AKDM4EALDH1A1
SCHEMBL4533809 0.82 ACHE (0.59) ACHEADORA3CTNNB1TCF7L2ALDH1A1
SCHEMBL4565184 0.81 TLR8 (0.64) TLR8TLR7
SCHEMBL4566127 0.81 ACHE (0.44) TLR8TLR7ACHEAPP
SCHEMBL4106776 0.80 ADORA3 (0.40) ADORA3ADORA2AKDM4EMEN1KMT2A

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 4 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 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.