SCHEMBL17456057

SCHEMBL17456057

CCS(=O)(=O)N1CCC(Oc2c(C#N)cccc2-c2ccncc2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.43
▸ CHUK O15111 3/20 0.43
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ RORC P51449 1/20 0.36
▸ HCRTR1 O43613 5/20 0.36
▸ HCRTR2 O43614 5/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ SSTR2 P30874 1/20 0.34

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
SCHEMBL17455951 0.84 CHRM1 (0.41) IKBKBCHUKRORCHCRTR1HCRTR2
SCHEMBL17455990 0.73 IKBKB (0.53) IKBKBCHUKPIK3CD
SCHEMBL17455989 0.72 IKBKB (0.52) IKBKBCHUKPIK3CD
SCHEMBL17456001 0.72 PIK3CD (0.46) IKBKBCHUKPIK3CDNAMPT
SCHEMBL17456033 0.72 IKBKB (0.47) IKBKBCHUKJAK2JAK1JAK3
SCHEMBL1423554 0.69 SQOR (0.46) IKBKBPDE3BPDE3AMAPT
SCHEMBL17455939 0.68 IKBKB (0.48) IKBKBCHUKJAK2JAK1JAK3
SCHEMBL1424020 0.66 PDE4A (0.38) PDE3BPDE3A
SCHEMBL23931114 0.65 MKNK1 (0.45) UCHL1
SCHEMBL31402935 0.64 RORC (0.48) RORCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 IKBKB 2723/4885CHUK 1104/4885JAK2 3839/4885

“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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