SCHEMBL20049884

SCHEMBL20049884

CCCCC(C)(CC)c1cc(F)nc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ HRH2 P25021 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TLR7 Q9NYK1 2/20 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
SCHEMBL19726912 0.91 TLR8 (0.36) TLR8HSD17B10HSP90AA1HSP90AB1HRH2
SCHEMBL18879383 0.77 HSP90AA1 (0.39) HSD17B10HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL19618116 0.74 TLR8 (0.45) TLR8HRH3TLR7
SCHEMBL179446 0.73 HSD17B10 (0.55) HSD17B10HSP90AA1HSP90AB1
SCHEMBL21719060 0.71 — —
SCHEMBL20049876 0.69 TLR8 (0.43) TLR8HRH3TLR7
SCHEMBL21719231 0.68 — —
SCHEMBL22047415 0.66 — —
SCHEMBL22023766 0.66 TLR8 (0.33) TLR8
SCHEMBL18935517 0.65 ESR1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — 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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A TLR8 4565/4885HSD17B10 3125/4885HSP90AA1 2546/4885

“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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