SCHEMBL18529779

SCHEMBL18529779

Nc1ccc([C@H]2C[C@@H]2C(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4ccc(F)cc4F)c3o2)cn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.63
▸ NAMPT P43490 1/20 0.63
▸ PAK1 Q13153 1/20 0.63
▸ DGAT2 Q96PD7 8/20 0.36
▸ MGLL Q99685 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ ACKR3 P25106 1/20 0.31
▸ MAP4K1 Q92918 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
SCHEMBL18541417 1.00 PAK4 (0.63) PAK4NAMPTPAK1DGAT2MGLL
SCHEMBL18541418 0.94 PAK4 (0.71) PAK4NAMPTPAK1DGAT2PIK3CA
SCHEMBL18529787 0.94 PAK4 (0.71) PAK4NAMPTPAK1DGAT2PIK3CA
SCHEMBL18541426 0.91 PAK4 (0.63) PAK4NAMPTPAK1DGAT2JAK2
SCHEMBL18529734 0.91 PAK4 (0.63) PAK4NAMPTPAK1DGAT2MGLL
SCHEMBL18529768 0.91 PAK4 (0.63) PAK4NAMPTPAK1DGAT2JAK2
SCHEMBL18541423 0.90 PAK4 (0.66) PAK4NAMPTPAK1DGAT2
SCHEMBL18541332 0.90 PAK4 (0.66) PAK4NAMPTPAK1DGAT2
SCHEMBL18541419 0.88 NAMPT (0.63) PAK4NAMPTPAK1DGAT2ABL1
SCHEMBL18529799 0.88 NAMPT (0.63) PAK4NAMPTPAK1DGAT2ABL1

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-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
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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