SCHEMBL17844683

SCHEMBL17844683

CN(C(=O)O)c1nc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3)c2s1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ PAK1 Q13153 1/20 0.41
▸ LIPC P11150 1/20 0.38
▸ GRM2 Q14416 3/20 0.37
▸ SLC6A7 Q99884 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FASN P49327 3/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 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
SCHEMBL19742286 0.85 LIPC (0.38) LIPCSLC6A7FASN
SCHEMBL17844708 0.84 PAK4 (0.42) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL19753618 0.83 PAK4 (0.44) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL19742258 0.81 PAK4 (0.46) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL17844682 0.80 PAK4 (0.47) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL19066884 0.77 PAK4 (0.52) PAK4NAMPTPAK1GRM2SLC6A7
SCHEMBL18529785 0.77 PAK4 (0.43) PAK4NAMPTPAK1SLC6A7MEN1
SCHEMBL18529792 0.77 PAK4 (0.42) PAK4NAMPTPAK1SLC6A7MEN1
SCHEMBL19753621 0.76 PAK4 (0.47) PAK4NAMPTPAK1LIPCSLC6A7
SCHEMBL19742272 0.75 GABRA5 (0.37) PAK4

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 1077/4885NAMPT 1646/4885PAK1 1131/4885

“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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