SCHEMBL18325826

SCHEMBL18325826

CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(Cl)c2o1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.51
GABRA5 P31644 1/20 0.44
HRH3 Q9Y5N1 10/20 0.43
NAMPT P43490 1/20 0.42
PAK1 Q13153 1/20 0.42
LRRK2 Q5S007 1/20 0.40
HTR1A P08908 1/20 0.38
STAT3 P40763 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18325821 0.91 PAK4 (0.52) PAK4GABRA5HRH3NAMPTPAK1
SCHEMBL18325792 0.88 HRH3 (0.47) PAK4HRH3STAT3
SCHEMBL18325770 0.88 HRH3 (0.56) GABRA5HRH3HPGD
SCHEMBL16345167 0.88 PAK4 (0.57) PAK4GABRA5HRH3NAMPTPAK1
SCHEMBL18325865 0.87 PAK4 (0.46) PAK4GABRA5HRH3NAMPTPAK1
SCHEMBL18325949 0.87 PAK4 (0.41) PAK4GABRA5NAMPTPAK1LRRK2
SCHEMBL18325828 0.86 PAK4 (0.67) PAK4GABRA5HRH3NAMPTPAK1
SCHEMBL18325818 0.86 PAK4 (0.51) PAK4GABRA5HRH3NAMPTPAK1
SCHEMBL18325816 0.86 PAK4 (0.52) PAK4GABRA5HRH3NAMPTPAK1
SCHEMBL18325835 0.86 PAK4 (0.57) PAK4GABRA5HRH3NAMPTPAK1

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 2007/4885GABRA5 55/4885HRH3 4677/4885

“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.