SCHEMBL18529800

SCHEMBL18529800

CC(C)(C)OC(=O)NCCOc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ HTR1A P08908 9/20 0.39
▸ ADRA1A P35348 4/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ RARA P10276 3/20 0.39
▸ RARB P10826 3/20 0.39
▸ RARG P13631 3/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ NPC1L1 Q9UHC9 1/20 0.37
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 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
SCHEMBL19066856 0.92 PAK4 (0.45) PAK4NAMPTPAK1HTR1AADRA1A
SCHEMBL18529797 0.89 PAK4 (0.42) PAK4NAMPTPAK1HTR1AADRA1A
SCHEMBL18529760 0.84 HTR1A (0.44) HTR1AADRA1ADRD2NPC1L1
SCHEMBL18529796 0.84 BCL9 (0.44) PAK4NAMPTPAK1HTR1A
SCHEMBL16379646 0.82 PAK4 (0.55) PAK4NAMPTPAK1BRD4NPC1L1
SCHEMBL19066902 0.80 PAK4 (0.48) PAK4NAMPTPAK1HTR1AADRA1A
SCHEMBL19082515 0.79 PAK4 (0.47) PAK4NAMPTPAK1HTR1AADRA1A
SCHEMBL18529735 0.77 PAK4 (0.46) PAK4NAMPTPAK1HTR1AADRA1A
SCHEMBL18329069 0.77 PAK4 (0.48) PAK4NAMPTPAK1HTR1AADRA1A
SCHEMBL29999875 0.77 PAK4 (0.48) PAK4NAMPTPAK1HTR1AADRA1A

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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