SCHEMBL4565057

SCHEMBL4565057

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.44
TLR7 Q9NYK1 9/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APP P05067 1/20 0.38
DHFR P00374 2/20 0.36
MAP4K4 O95819 2/20 0.35
HTR2A P28223 1/20 0.35
ADORA2A P29274 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4524470 0.84 TLR8 (0.52) TLR8TLR7APPMAP4K4
SCHEMBL3807382 0.81 NOS1 (0.46) TLR8TLR7MEN1KMT2AHTR2A
SCHEMBL4566109 0.80 ADORA3 (0.40) MEN1KMT2AAPPMAP4K4HTR2A
SCHEMBL3997363 0.80 PDE4A (0.46) TLR8TLR7APPDHFRKDM4E
SCHEMBL4532171 0.79 TLR7 (0.56) TLR8TLR7MEN1KMT2AKDM4E
SCHEMBL4565184 0.79 TLR8 (0.64) TLR8TLR7
SCHEMBL4108269 0.79 DHFR (0.39) TLR8TLR7DHFRMAP4K4ADORA2A
SCHEMBL4525426 0.78 TLR8 (0.44) TLR8TLR7APPDHFRMAP4K4
SCHEMBL4560801 0.77 ALDH1A1 (0.38) TLR8TLR7MEN1KMT2AKDM4E
SCHEMBL4112539 0.77 DHFR (0.41) MEN1KMT2ADHFRMAP4K4ADORA2A

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-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

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 851/4885MEN1 4755/4885

“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.