SCHEMBL18529796

SCHEMBL18529796

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 8/20 0.44
▸ CTNNB1 P35222 8/20 0.44
▸ PAK4 O96013 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PAK1 Q13153 1/20 0.43
▸ FASN P49327 2/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ HTR1A P08908 4/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ MGLL Q99685 1/20 0.38

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
SCHEMBL19066899 0.91 BCL9 (0.52) BCL9CTNNB1PAK4NAMPTPAK1
SCHEMBL18529797 0.88 PAK4 (0.42) PAK4NAMPTPAK1FASNHTR1A
SCHEMBL18529800 0.84 PAK4 (0.40) PAK4NAMPTPAK1HTR1A
SCHEMBL19082515 0.79 PAK4 (0.47) BCL9CTNNB1PAK4NAMPTPAK1
SCHEMBL18529735 0.79 PAK4 (0.46) PAK4NAMPTPAK1HTR1A
SCHEMBL19066902 0.79 PAK4 (0.48) BCL9CTNNB1PAK4NAMPTPAK1
SCHEMBL16379649 0.78 PAK4 (0.55) PAK4NAMPTPAK1FASNCNR1
SCHEMBL29611757 0.75 PAK4 (0.49) PAK4NAMPTPAK1FASNCNR1
SCHEMBL18325907 0.75 PAK4 (0.53) PAK4NAMPTPAK1FASNCNR1
SCHEMBL19066856 0.74 PAK4 (0.45) BCL9CTNNB1PAK4NAMPTPAK1

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 BCL9 2/4885CTNNB1 1354/4885PAK4 265/4885

“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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