SCHEMBL17859226

SCHEMBL17859226

Nc1ccc(/C=C/C(=O)NCc2nc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4ccc(F)cc4)c3s2)cn1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.71
▸ PAK4 O96013 2/20 0.71
▸ PAK1 Q13153 1/20 0.71
▸ GPR183 P32249 3/20 0.38
▸ LIPC P11150 3/20 0.36
▸ GSK3B P49841 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL17859225 0.88 NAMPT (0.76) NAMPTPAK4PAK1GPR183LIPC
SCHEMBL17859239 0.88 PAK4 (0.59) NAMPTPAK4PAK1GPR183LIPC
SCHEMBL17844682 0.83 PAK4 (0.47) NAMPTPAK4PAK1LIPCHDAC1
Padnarsertib SCHEMBL29649112 0.83 PAK4 (1.00) NAMPTPAK4PAK1GPR183LIPC
Padnarsertib SCHEMBL16345416 0.83 PAK4 (1.00) NAMPTPAK4PAK1GPR183LIPC
Padnarsertib SCHEMBL29649080 0.83 PAK4 (1.00) NAMPTPAK4PAK1GPR183LIPC
Padnarsertib SCHEMBL16348032 0.83 PAK4 (1.00) NAMPTPAK4PAK1GPR183LIPC
SCHEMBL18530564 0.82 PAK4 (0.66) NAMPTPAK4PAK1GPR183LIPC
SCHEMBL18530565 0.82 PAK4 (0.66) NAMPTPAK4PAK1GPR183LIPC
SCHEMBL17859238 0.81 PAK4 (0.59) NAMPTPAK4PAK1GPR183LIPC

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 NAMPT 1646/4885PAK4 1077/4885PAK1 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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