SCHEMBL18529784

SCHEMBL18529784

O=C(O)NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.49
▸ NAMPT P43490 1/20 0.49
▸ PAK1 Q13153 1/20 0.49
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ SLC6A7 Q99884 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FASN P49327 1/20 0.37
▸ GPR183 P32249 4/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ ENPP2 Q13822 3/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ LIPC P11150 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 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
SCHEMBL18541372 0.88 PAK4 (0.46) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL18529794 0.87 PAK4 (0.48) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL18541374 0.83 PAK4 (0.40) PAK4NAMPTPAK1LIPC
SCHEMBL18529776 0.82 PAK4 (0.54) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL18541338 0.82 PAK4 (0.54) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL19066883 0.81 PAK4 (0.69) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL19742290 0.81 PAK4 (0.49) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL18529790 0.80 PAK4 (0.47) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL18529785 0.80 PAK4 (0.43) PAK4NAMPTPAK1HDAC3HDAC1
SCHEMBL20480877 0.78 PAK4 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. 2018-08-30 — — US 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 (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-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS MALT1, BCL9, IKBKE PAK4 265/4885NAMPT 2565/4885PAK1 158/4885

“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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