SCHEMBL17859537

SCHEMBL17859537

Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(O)(C(F)(F)F)C5)cn4)cc(C(F)(F)F)c3s2)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.53
▸ NAMPT P43490 2/20 0.45
▸ PAK1 Q13153 1/20 0.45
▸ CCNT1 O60563 2/20 0.36
▸ CCNK O75909 2/20 0.36
▸ CCNE1 P24864 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CDK12 Q9NYV4 2/20 0.36
▸ STAT3 P40763 1/20 0.32
▸ GPR183 P32249 3/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ VNN1 O95497 2/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL17859442 0.96 PAK4 (0.56) PAK4NAMPTPAK1CCNT1CCNK
SCHEMBL17859374 0.93 PAK4 (0.59) PAK4NAMPTPAK1STAT3GPR183
SCHEMBL17859402 0.91 PAK4 (0.55) PAK4NAMPTPAK1CCNKCDK12
SCHEMBL17859445 0.91 PAK4 (0.56) PAK4NAMPTPAK1CCNKCCNE1
SCHEMBL17859535 0.91 PAK4 (0.63) PAK4NAMPTPAK1STAT3GPR183
SCHEMBL17859538 0.90 PAK4 (0.55) PAK4NAMPTPAK1STAT3GPR183
SCHEMBL17859221 0.89 PAK4 (0.55) PAK4NAMPTPAK1CCNT1CCNK
SCHEMBL17859405 0.88 PAK4 (0.53) PAK4NAMPTPAK1
SCHEMBL17859539 0.88 PAK4 (0.49) PAK4NAMPTPAK1STAT3GPR183
SCHEMBL17844719 0.88 PAK4 (0.53) PAK4NAMPTPAK1STAT3GPR183

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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