SCHEMBL17859309

SCHEMBL17859309

NCc1nc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(C(F)(F)F)c2s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 8/20 0.41
▸ ERN1 O75460 1/20 0.39
▸ LIPG Q9Y5X9 4/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ FASN P49327 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ SLC6A7 Q99884 2/20 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
SCHEMBL17859496 0.89 PAK4 (0.39) LIPCPAK4NAMPT
SCHEMBL19742285 0.88 LIPC (0.41) LIPCERN1LIPGFASNJAK2
SCHEMBL19753613 0.87 LIPC (0.44) LIPCLIPGFASNJAK2JAK1
SCHEMBL19742258 0.84 PAK4 (0.46) LIPCABL1BCRFASNPAK4
SCHEMBL17859305 0.83 LIPC (0.40) LIPCERN1LIPGHDAC4
SCHEMBL19742286 0.81 LIPC (0.38) LIPCERN1FASNJAK2JAK1
SCHEMBL17859239 0.80 PAK4 (0.59) LIPCERN1LIPGPAK4NAMPT
SCHEMBL19753612 0.79 LIPC (0.43) LIPCFASNJAK2JAK1JAK3
SCHEMBL19742270 0.77 PAK4 (0.40) LIPCPAK4NAMPT
SCHEMBL19753608 0.76 GABRA5 (0.41) LIPCPAK4

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-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 — — US disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 — — 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-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 LIPC 3882/4885ERN1 1546/4885LIPG 2921/4885

“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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