SCHEMBL18325824

SCHEMBL18325824

Cc1cc2oc(CN)cc2cc1-c1ccc(C(=O)N2CCC(F)(F)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.43
▸ PAK4 O96013 2/20 0.43
▸ GABRA5 P31644 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ NAMPT P43490 4/20 0.38
▸ PAK1 Q13153 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ DDR1 Q08345 1/20 0.36
▸ ADRA1A P35348 1/20 0.35

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
SCHEMBL29611400 0.88 HRH3 (0.42) HRH3PAK4GABRA5LOXL2NAMPT
SCHEMBL16346356 0.88 HRH3 (0.42) HRH3PAK4GABRA5LOXL2NAMPT
SCHEMBL18325895 0.84 HRH3 (0.51) HRH3PAK4GABRA5LOXL2NAMPT
SCHEMBL18325823 0.84 PAK4 (0.46) HRH3PAK4GABRA5NAMPTPAK1
SCHEMBL18325820 0.83 PAK4 (0.54) HRH3PAK4GABRA5NAMPTPAK1
SCHEMBL29611043 0.83 PAK4 (0.50) HRH3PAK4GABRA5LOXL2NAMPT
SCHEMBL16345147 0.83 PAK4 (0.50) HRH3PAK4GABRA5LOXL2NAMPT
SCHEMBL18325827 0.81 PAK4 (0.69) HRH3PAK4GABRA5NAMPTPAK1
SCHEMBL16345406 0.79 PAK4 (0.39) HRH3PAK4GABRA5LOXL2NAMPT
SCHEMBL29611316 0.79 PAK4 (0.39) HRH3PAK4GABRA5LOXL2NAMPT

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 HRH3 4677/4885PAK4 2007/4885GABRA5 55/4885

“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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