SCHEMBL17859536

SCHEMBL17859536

NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2s1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.42
▸ GABRA5 P31644 1/20 0.39
▸ STAT3 P40763 11/20 0.39
▸ HRH3 Q9Y5N1 6/20 0.37
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL17859426 0.93 PAK4 (0.41) PAK4GABRA5STAT3HRH3
SCHEMBL17859425 0.92 PAK4 (0.41) PAK4GABRA5STAT3HRH3
SCHEMBL17844731 0.90 PAK4 (0.34) PAK4STAT3
SCHEMBL17844692 0.90 PAK4 (0.40) PAK4GABRA5STAT3HRH3
SCHEMBL17844713 0.88 PAK4 (0.43) PAK4GABRA5STAT3HRH3NAMPT
SCHEMBL19753597 0.88 GABRA5 (0.44) PAK4GABRA5STAT3HRH3
SCHEMBL17859423 0.87 GABRA5 (0.41) PAK4GABRA5STAT3HRH3
SCHEMBL17859496 0.85 PAK4 (0.39) PAK4GABRA5STAT3NAMPT
SCHEMBL17859532 0.85 PAK4 (0.41) PAK4GABRA5STAT3
SCHEMBL29611290 0.83 PAK4 (0.52) PAK4GABRA5STAT3HRH3NAMPT

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-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 — — US disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 — — 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 (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-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 PAK4 1077/4885GABRA5 2240/4885STAT3 91/4885

“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.

Send feedback