SCHEMBL19726910

SCHEMBL19726910

CCCCCC(C)(CCCC)c1ccnc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 6/20 0.45
▸ NUDT1 P36639 5/20 0.41
▸ TLR7 Q9NYK1 3/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ TTBK1 Q5TCY1 1/20 0.33

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
SCHEMBL18431417 0.94 TLR8 (0.43) TLR8NUDT1TLR7HRH3HRH4
SCHEMBL20049876 0.91 TLR8 (0.43) TLR8NUDT1TLR7HRH3HRH4
SCHEMBL19618116 0.91 TLR8 (0.45) TLR8NUDT1TLR7HRH3HRH4
SCHEMBL22065925 0.80 TLR8 (0.32) TLR8TLR7
SCHEMBL25466603 0.79 TLR8 (0.34) TLR8TLR7
SCHEMBL26850422 0.77 KCNH2 (0.34) TLR8TLR7
SCHEMBL21719187 0.75 KCNH2 (0.32) TLR8TLR7
SCHEMBL21719076 0.74 AR (0.32) TLR8TLR7
SCHEMBL21719179 0.74 TLR8 (0.30) TLR8TLR7
SCHEMBL21719183 0.74 TLR8 (0.30) TLR8TLR7

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 4679/4885NUDT1 1478/4885TLR7 4114/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB TLR8 4679/4885NUDT1 1478/4885TLR7 4114/4885

“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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