SCHEMBL18318616

SCHEMBL18318616

CN(C(=O)O)c1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccncc3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.46
▸ NAMPT P43490 2/20 0.46
▸ PAK1 Q13153 1/20 0.46
▸ CYP3A4 P08684 8/20 0.39
▸ USP2 O75604 5/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ CYP2C19 P33261 5/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ FASN P49327 1/20 0.38
▸ CYP2D6 P10635 5/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP46A1 Q9Y6A2 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 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
SCHEMBL18317786 0.92 PAK4 (0.39) PAK4NAMPTPAK1CYP3A4USP2
SCHEMBL19066884 0.91 PAK4 (0.52) PAK4NAMPTPAK1FASN
SCHEMBL18317785 0.89 NAMPT (0.43) PAK4NAMPTPAK1CYP3A4USP2
SCHEMBL16345438 0.88 PAK4 (0.42) PAK4NAMPTPAK1USP2SMN1; SMN2
SCHEMBL16345913 0.86 PAK4 (0.39) PAK4NAMPTPAK1USP2SMN1; SMN2
SCHEMBL18317521 0.85 PAK4 (0.39) PAK4NAMPTPAK1MAPK1FASN
SCHEMBL19066871 0.85 PAK4 (0.45) PAK4NAMPTPAK1CYP3A4USP2
SCHEMBL18317644 0.84 PAK4 (0.39) PAK4NAMPTPAK1CYP3A4USP2
SCHEMBL19066854 0.83 ERN1 (0.41) PAK4NAMPTPAK1FASN
SCHEMBL16345902 0.83 ALDH1A1 (0.39) PAK4NAMPTPAK1CYP3A4USP2

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 2007/4885NAMPT 1663/4885PAK1 3040/4885
US-20180319779-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885NAMPT 1782/4885PAK1 3233/4885
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK PAK4 2260/4885NAMPT 1782/4885PAK1 3233/4885
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK PAK4 2260/4885NAMPT 1782/4885PAK1 3233/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885NAMPT 1782/4885PAK1 3233/4885
US-20200102292-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885NAMPT 1782/4885PAK1 3233/4885

“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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