SCHEMBL17844709

SCHEMBL17844709

CN(C(=O)O)c1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(Cl)c2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ PDE7B Q9NP56 1/20 0.37
▸ LIPC P11150 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ FASN P49327 7/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTR1A P08908 5/20 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
SCHEMBL17844708 0.86 PAK4 (0.42) LIPCKMT2AJAK2JAK1JAK3
SCHEMBL19753619 0.82 P2RY12 (0.40) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL17844696 0.80 LIPC (0.40) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL17844695 0.80 HPGD (0.38) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL18317521 0.79 PAK4 (0.39) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL19742287 0.79 PAK4 (0.40) LIPCJAK2JAK1JAK3LRRK2
SCHEMBL17844714 0.76 GABRA5 (0.38) LRRK2HPGD
SCHEMBL19742286 0.73 LIPC (0.38) LIPCJAK2JAK1JAK3FASN
SCHEMBL16345913 0.72 PAK4 (0.39) LIPCKMT2AJAK2JAK1JAK3
SCHEMBL17844683 0.72 PAK4 (0.41) LIPCKMT2AFASN

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 PDE5A 1559/4885PDE4A 2633/4885PDE1A 4606/4885

“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.

Send feedback