SCHEMBL22024946

SCHEMBL22024946

CCCCC(C)(CCC)c1cccnc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.33
▸ TLR7 Q9NYK1 3/20 0.33
▸ TSHR P16473 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NAPRT Q6XQN6 1/20 0.31
▸ CXCR4 P61073 1/20 0.30

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
SCHEMBL21191599 0.94 TLR8 (0.35) TLR8TLR7TSHRP2RY1KCNA5
SCHEMBL22024146 0.94 NAPRT (0.34) TLR8KCNA5KCNH2NAPRT
SCHEMBL21191754 0.92 TLR8 (0.36) TLR8TLR7TSHRP2RY1
SCHEMBL21191591 0.92 TLR8 (0.36) TLR8TLR7TSHRP2RY1KCNA5
SCHEMBL22140273 0.87 KCNA5 (0.33) TLR8KCNA5KCNH2NAPRT
SCHEMBL22023795 0.84 CNR1 (0.35) TLR8TLR7TSHRP2RY1KCNA5
SCHEMBL25736987 0.81 TLR8 (0.38) TLR8TLR7P2RY1NAPRT
SCHEMBL22624021 0.79 TLR8 (0.34) TLR8TLR7TSHR
SCHEMBL22624032 0.75 P2RY1 (0.39) TLR8TLR7TSHRP2RY1KCNH2
SCHEMBL22023658 0.73 NAPRT (0.36) KCNA5KCNH2NAPRT

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-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 — — US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 — — 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 (2 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-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF TLR8 2663/4885TLR7 727/4885TSHR 3380/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF TLR8 2663/4885TLR7 727/4885TSHR 3380/4885

“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.

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