SCHEMBL17859437

SCHEMBL17859437

CC1(C)CN(C(=O)c2ccc(-c3cc(C(F)(F)F)c4sc(CNC(=O)/C=C/c5ccc(N)nc5)cc4c3)cc2)CCO1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ PAK1 Q13153 1/20 0.48
▸ PIK3CA P42336 3/20 0.37
▸ MTOR P42345 2/20 0.37
▸ ERN1 O75460 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ LIPC P11150 3/20 0.33
▸ LIPG Q9Y5X9 3/20 0.33
▸ GPR183 P32249 2/20 0.32
▸ PRMT5 O14744 2/20 0.32
▸ PIK3CG P48736 1/20 0.31
▸ PIK3R5 Q8WYR1 1/20 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
SCHEMBL17859539 0.93 PAK4 (0.49) PAK4NAMPTPAK1PIK3CAMTOR
SCHEMBL17859222 0.90 PAK4 (0.54) PAK4NAMPTPAK1ERN1KCNH2
SCHEMBL17859409 0.89 PAK4 (0.55) PAK4NAMPTPAK1PIK3CAMTOR
SCHEMBL17859411 0.89 PAK4 (0.58) PAK4NAMPTPAK1ERN1LIPC
SCHEMBL17859420 0.89 PAK4 (0.54) PAK4NAMPTPAK1ERN1LIPC
SCHEMBL17859434 0.87 PAK4 (0.63) PAK4NAMPTPAK1PIK3CAMTOR
SCHEMBL16346059 0.87 PAK4 (0.61) PAK4NAMPTPAK1PIK3CAMTOR
SCHEMBL16346060 0.87 PAK4 (0.61) PAK4NAMPTPAK1PIK3CAMTOR
SCHEMBL17859412 0.87 PAK4 (0.52) PAK4NAMPTPAK1ERN1LIPC
SCHEMBL17859433 0.87 PAK4 (0.49) PAK4NAMPTPAK1ERN1PDE4B

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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