SCHEMBL17844696

SCHEMBL17844696

NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(Cl)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 2/20 0.40
▸ PAK4 O96013 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ FASN P49327 6/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ JAK2 O60674 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
SCHEMBL19753619 0.90 P2RY12 (0.40) LIPCPAK4NAMPTPAK1FASN
SCHEMBL17859421 0.87 PKM (0.48) HPGDJAK2JAK1JAK3AOC3
SCHEMBL19742287 0.87 PAK4 (0.40) LIPCPAK4NAMPTPAK1FASN
SCHEMBL18541435 0.85 PAK4 (0.48) LIPCPAK4NAMPTPAK1FASN
SCHEMBL19078936 0.85 PAK4 (0.41) LIPCPAK4NAMPTPAK1FASN
SCHEMBL17844695 0.82 HPGD (0.38) LIPCFASNPDE5APDE4APDE1A
SCHEMBL24145227 0.80 PAK4 (0.48) LIPCPAK4NAMPTPAK1FASN
SCHEMBL17844709 0.80 PDE5A (0.37) LIPCFASNPDE5APDE4APDE1A
SCHEMBL18529741 0.78 PDE5A (0.38) LIPCPAK4NAMPTPAK1FASN
SCHEMBL31622708 0.76 PDE5A (0.41) PAK4NAMPTPAK1FASNPDE5A

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 4 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
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
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 3882/4885PAK4 1077/4885NAMPT 1646/4885

“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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