SCHEMBL8608786

SCHEMBL8608786

CCCCCc1ccc2c(N)nc(N)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.52
DHFR P00374 7/20 0.49

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
SCHEMBL10479144 0.87 TLR8 (0.53) TLR8DHFR
SCHEMBL5398097 0.87 TLR8 (0.53) TLR8DHFR
SCHEMBL14072496 0.82 KCNH2 (0.56) DHFR
SCHEMBL11607678 0.81 TLR8 (0.45) TLR8
SCHEMBL19625906 0.79 TLR8 (0.50) TLR8
SCHEMBL4431622 0.77 DHFR (0.54) DHFR
SCHEMBL3397263 0.77 TLR8 (0.47) TLR8
SCHEMBL15075239 0.76 DHFR (0.50) DHFR
SCHEMBL6910786 0.76 TLR8 (0.51) TLR8DHFR
SCHEMBL1063172 0.75 TLR8 (0.49) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835445-B2 Dihydrofolate reductase inhibitors TRIUS THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120136014-A1 DIHYDROFOLATE REDUCTASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
WO-2011153310-A1 DIHYDROFOLATE REDUCTASE INHIBITORS TRIUS THERAPEUTICS (US) 2011-12-08 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-20120136014-A1 DIHYDROFOLATE REDUCTASE INHIBITORS DHFR, DPYD, DHODH TLR8 3252/4885DHFR 1/4885

“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.