SCHEMBL18325831

SCHEMBL18325831

Cc1cc(-c2ccc(C(=S)N3CCC(F)(F)CC3)cn2)cc2cc(CN)oc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.44
▸ NAMPT P43490 1/20 0.37
▸ PAK1 Q13153 1/20 0.37
▸ GABRA5 P31644 1/20 0.36
▸ HRH3 Q9Y5N1 11/20 0.34

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
SCHEMBL18325820 0.90 PAK4 (0.54) PAK4NAMPTPAK1GABRA5HRH3
SCHEMBL16345166 0.88 PAK4 (0.43) PAK4NAMPTPAK1GABRA5HRH3
SCHEMBL29610988 0.88 PAK4 (0.43) PAK4NAMPTPAK1GABRA5HRH3
SCHEMBL16379641 0.87 PAK4 (0.49) PAK4NAMPTPAK1GABRA5HRH3
SCHEMBL16379977 0.85 PAK4 (0.49) PAK4NAMPTPAK1HRH3
SCHEMBL18325832 0.83 PAK4 (0.48) PAK4NAMPTPAK1GABRA5HRH3
SCHEMBL19753599 0.83 PAK4 (0.35) PAK4GABRA5
SCHEMBL18325810 0.81 PAK4 (0.51) PAK4NAMPTPAK1GABRA5HRH3
SCHEMBL18325821 0.81 PAK4 (0.52) PAK4NAMPTPAK1GABRA5HRH3
SCHEMBL19753598 0.80 GABRA5 (0.34) PAK4GABRA5HRH3

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-9856241-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-01-02 — — US disclosed
US-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2016-12-22 — — 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-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2007/4885NAMPT 1663/4885PAK1 3040/4885

“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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