SCHEMBL18317673

SCHEMBL18317673

CN(C(=O)O)c1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cnc2o1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ HRH3 Q9Y5N1 9/20 0.38
▸ STAT3 P40763 3/20 0.38
▸ HPGD P15428 2/20 0.36
▸ ADRA1A P35348 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ GHSR Q92847 1/20 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
SCHEMBL18317509 0.86 PAK4 (0.44) PAK4GABRA5HRH3STAT3HPGD
SCHEMBL18317597 0.85 PAK4 (0.42) PAK4GABRA5HRH3STAT3HPGD
SCHEMBL18317788 0.85 GABRA5 (0.43) PAK4GABRA5HRH3STAT3HPGD
SCHEMBL16345168 0.85 PAK4 (0.43) PAK4GABRA5HRH3STAT3HPGD
SCHEMBL16347314 0.83 GABRA5 (0.41) PAK4GABRA5HRH3STAT3HPGD
SCHEMBL18317547 0.83 GABRA5 (0.41) PAK4GABRA5HRH3STAT3LRRK2
SCHEMBL18317654 0.83 PAK4 (0.42) PAK4GABRA5HRH3STAT3HPGD
SCHEMBL18325812 0.83 PAK4 (0.46) PAK4GABRA5HRH3STAT3HPGD
SCHEMBL19066887 0.82 PAK4 (0.57) PAK4GABRA5HRH3STAT3
SCHEMBL18317443 0.82 PAK4 (0.45) PAK4GABRA5HRH3LRRK2

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 7 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-20200102292-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2020-04-02 — — US disclosed
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2019-09-03 — — US disclosed
US-20180319779-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2018-11-08 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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
US-20180319779-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885GABRA5 48/4885HRH3 4681/4885
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK PAK4 2260/4885GABRA5 48/4885HRH3 4681/4885
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK PAK4 2260/4885GABRA5 48/4885HRH3 4681/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885GABRA5 48/4885HRH3 4681/4885
US-20200102292-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885GABRA5 48/4885HRH3 4681/4885

“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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