SCHEMBL16379573

SCHEMBL16379573

NCc1cc2c(C(F)(F)F)cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.42
▸ HRH3 Q9Y5N1 10/20 0.41
▸ GABRA5 P31644 1/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ NAMPT P43490 1/20 0.37
▸ STAT3 P40763 5/20 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
SCHEMBL18325944 0.91 GABRA5 (0.41) PAK4HRH3GABRA5NAMPTSTAT3
SCHEMBL16379559 0.86 PAK4 (0.52) PAK4HRH3GABRA5NAMPTSTAT3
SCHEMBL29611290 0.86 PAK4 (0.52) PAK4HRH3GABRA5NAMPTSTAT3
SCHEMBL16379571 0.85 PAK4 (0.44) PAK4HRH3GABRA5NAMPTSTAT3
SCHEMBL29611316 0.84 PAK4 (0.39) PAK4HRH3GABRA5LOXL2NAMPT
SCHEMBL16345406 0.84 PAK4 (0.39) PAK4HRH3GABRA5LOXL2NAMPT
SCHEMBL18325895 0.83 HRH3 (0.51) PAK4HRH3GABRA5LOXL2NAMPT
SCHEMBL16346356 0.83 HRH3 (0.42) PAK4HRH3GABRA5LOXL2NAMPT
SCHEMBL29611400 0.83 HRH3 (0.42) PAK4HRH3GABRA5LOXL2NAMPT
SCHEMBL18317784 0.82 PAK4 (0.67) PAK4HRH3GABRA5NAMPTSTAT3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2021-12-30 — — US disclosed
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2021-05-18 — — US disclosed
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
US-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2016-12-22 — — US disclosed
WO-2015003166-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2015-01-08 — — WO 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 (3 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 2007/4885HRH3 4677/4885GABRA5 55/4885
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK PAK4 2260/4885HRH3 4681/4885GABRA5 48/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885HRH3 4681/4885GABRA5 48/4885

“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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