SCHEMBL17844695

SCHEMBL17844695

N#Cc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(Cl)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ FASN P49327 7/20 0.37
▸ AR P10275 5/20 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
▸ LIPC P11150 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ MKNK1 Q9BUB5 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
SCHEMBL17844691 0.86 MKNK1 (0.48) HPGDJAK2MKNK1MKNK2
SCHEMBL18529789 0.85 PAK4 (0.43) FASNLIPCSLC6A7
SCHEMBL19753619 0.82 P2RY12 (0.40) FASNPDE5APDE4APDE1APDE1B
SCHEMBL17844696 0.82 LIPC (0.40) HPGDFASNPDE5APDE4APDE1A
SCHEMBL17844709 0.80 PDE5A (0.37) HPGDFASNPDE5APDE4APDE1A
SCHEMBL19742287 0.79 PAK4 (0.40) FASNLIPCJAK2JAK1JAK3
SCHEMBL31622708 0.74 PDE5A (0.41) HPGDFASNPDE5APDE4APDE1A
SCHEMBL18529770 0.72 LRRK2 (0.47) HPGDFASNPDE5APDE4APDE1A
SCHEMBL18530550 0.72 FASN (0.44) HPGDFASNPDE5APDE4APDE1A
SCHEMBL18529798 0.71 HSD11B1 (0.42) HPGDFASNPDE5APDE4APDE1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 — — US disclosed
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 — — US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 — — US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 — — US disclosed
US-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. 2018-08-30 — — US disclosed
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 — — US disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 — — WO 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
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 (4 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 HPGD 1232/4885FASN 2195/4885AR 1883/4885
US-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 HPGD 2479/4885FASN 3614/4885AR 1685/4885
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF MALT1, BCL9, BCL6 HPGD 2142/4885FASN 4071/4885AR 2993/4885
US-10858347-B2 Multicyclic compounds and uses thereof MALT1, BCL9, BCL6 HPGD 2142/4885FASN 4071/4885AR 2993/4885

“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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