SCHEMBL19726912

SCHEMBL19726912

CCCCCC(C)(CCCC)c1cc(F)nc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 10/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ TLR7 Q9NYK1 3/20 0.32
▸ DHFR P00374 1/20 0.31
▸ HRH2 P25021 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20049884 0.91 TLR8 (0.36) TLR8HSD17B10HSP90AA1HSP90AB1TLR7
SCHEMBL19726910 0.74 TLR8 (0.45) TLR8TLR7HRH3
SCHEMBL18879383 0.74 HSP90AA1 (0.39) HSD17B10HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL179446 0.73 HSD17B10 (0.55) HSD17B10HSP90AA1HSP90AB1
SCHEMBL21064262 0.71 KCNH2 (0.39) TLR8SMN1; SMN2
SCHEMBL18874801 0.69 LMNA (0.33) TLR8TLR7SMN1; SMN2
SCHEMBL18431417 0.69 TLR8 (0.43) TLR8TLR7HRH3
SCHEMBL23788958 0.68 TSHR (0.41) SMN1; SMN2
SCHEMBL21719060 0.68 — —
SCHEMBL21784665 0.67 CNR2 (0.38) SMN1; SMN2

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-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 — — 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 (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-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB TLR8 4679/4885HSD17B10 2119/4885HSP90AA1 1153/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB TLR8 4679/4885HSD17B10 2119/4885HSP90AA1 1153/4885

“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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