SCHEMBL18529789

SCHEMBL18529789

N#Cc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PAK1 Q13153 1/20 0.43
▸ FASN P49327 3/20 0.39
▸ HSD11B1 P28845 2/20 0.39
▸ SLC6A7 Q99884 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL17844695 0.85 HPGD (0.38) FASNSLC6A7LIPC
SCHEMBL18541435 0.83 PAK4 (0.48) PAK4NAMPTPAK1FASNHSD11B1
SCHEMBL19753621 0.83 PAK4 (0.47) PAK4NAMPTPAK1FASNSLC6A7
SCHEMBL17844708 0.81 PAK4 (0.42) PAK4NAMPTPAK1FASNHSD11B1
SCHEMBL19742290 0.80 PAK4 (0.49) PAK4NAMPTPAK1FASNHSD11B1
SCHEMBL21166248 0.77 SLC6A7 (0.57) FASNHSD11B1SLC6A7MEN1KMT2A
SCHEMBL19742258 0.76 PAK4 (0.46) PAK4NAMPTPAK1FASNSLC6A7
SCHEMBL19753618 0.76 PAK4 (0.44) PAK4NAMPTPAK1FASNSLC6A7
SCHEMBL17859366 0.76 PAK4 (0.46) PAK4NAMPTPAK1FASNHDAC3
SCHEMBL28217078 0.75 PAK4 (0.51) PAK4NAMPTPAK1FASNHSD11B1

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 8 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-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
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 — — US disclosed
US-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. 2018-08-30 — — US disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 — — WO disclosed
WO-2017031204-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. (US) 2017-02-23 — — WO disclosed
WO-2017031204-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. (US) 2017-02-23 — — 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 (3 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-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS MALT1, BCL9, IKBKE PAK4 265/4885NAMPT 2565/4885PAK1 158/4885
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.

Send feedback