SCHEMBL17859433

SCHEMBL17859433

Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)cc(C(F)(F)F)c3s2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.49
▸ NAMPT P43490 2/20 0.49
▸ PAK1 Q13153 1/20 0.49
▸ ERN1 O75460 1/20 0.33
▸ GPR183 P32249 2/20 0.32
▸ HDAC3 O15379 5/20 0.32
▸ HDAC1 Q13547 5/20 0.32
▸ HDAC2 Q92769 4/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ VNN1 O95497 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ LIPC P11150 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ HDAC8 Q9BY41 3/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC7 Q8WUI4 2/20 0.31
▸ HDAC10 Q969S8 2/20 0.31
▸ HDAC11 Q96DB2 2/20 0.31

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
SCHEMBL17859412 0.93 PAK4 (0.52) PAK4NAMPTPAK1ERN1GPR183
SCHEMBL17859407 0.93 PAK4 (0.50) PAK4NAMPTPAK1GPR183VNN1
SCHEMBL17859420 0.92 PAK4 (0.54) PAK4NAMPTPAK1ERN1GPR183
SCHEMBL17859256 0.89 NAMPT (0.52) PAK4NAMPTPAK1ERN1GPR183
SCHEMBL17859411 0.88 PAK4 (0.58) PAK4NAMPTPAK1ERN1GPR183
SCHEMBL17859434 0.88 PAK4 (0.63) PAK4NAMPTPAK1ERN1GPR183
SCHEMBL17859222 0.87 PAK4 (0.54) PAK4NAMPTPAK1ERN1GPR183
SCHEMBL17859409 0.87 PAK4 (0.55) PAK4NAMPTPAK1ERN1GPR183
SCHEMBL17859221 0.87 PAK4 (0.55) PAK4NAMPTPAK1ERN1GPR183
SCHEMBL17859437 0.87 PAK4 (0.48) PAK4NAMPTPAK1ERN1GPR183

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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