SCHEMBL19066868

SCHEMBL19066868

Nc1ccc(CNC(=O)NCCOc2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ PAK1 Q13153 1/20 0.48
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ BCL9 O00512 3/20 0.38
▸ CTNNB1 P35222 3/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ HTR1A P08908 6/20 0.38
▸ ENPP2 Q13822 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ PPID Q08752 1/20 0.36

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
SCHEMBL19079064 0.91 NAMPT (0.56) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL19066902 0.86 PAK4 (0.48) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL19082515 0.83 PAK4 (0.47) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL19066899 0.82 BCL9 (0.52) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL19066856 0.81 PAK4 (0.45) PAK4NAMPTPAK1HDAC1BCL9
SCHEMBL18529797 0.78 PAK4 (0.42) PAK4NAMPTPAK1HTR1ADRD2
SCHEMBL20651744 0.77 NAMPT (0.58) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL19066905 0.77 NAMPT (0.46) PAK4NAMPTPAK1HDAC1
SCHEMBL18529796 0.74 BCL9 (0.44) PAK4NAMPTPAK1BCL9CTNNB1
SCHEMBL19066875 0.74 NAMPT (0.58) PAK4NAMPTPAK1HDAC3HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 — — US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 — — US disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 — — 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 (2 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-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF MALT1, BCL9, BCL6 PAK4 1828/4885NAMPT 3853/4885PAK1 2595/4885
US-10858347-B2 Multicyclic compounds and uses thereof MALT1, BCL9, BCL6 PAK4 1828/4885NAMPT 3853/4885PAK1 2595/4885

“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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