SCHEMBL17455939

SCHEMBL17455939

CCS(=O)(=O)N1CCC(Oc2ccccc2-c2ccncn2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.48
▸ CHUK O15111 3/20 0.48
▸ PIK3CD O00329 3/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SCN8A Q9UQD0 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ NAMPT P43490 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
SCHEMBL17456012 0.88 IKBKB (0.38) IKBKBCHUKPIK3CDJAK2JAK3
SCHEMBL17455964 0.88 IKBKB (0.45) IKBKBCHUKPIK3CDGSK3B
SCHEMBL17456030 0.88 IKBKB (0.43) IKBKBCHUKPIK3CDGSK3B
SCHEMBL17455929 0.83 CHRM1 (0.40) IKBKBCHUKPIK3CDGSK3BMCHR1
SCHEMBL17455914 0.77 MCHR1 (0.52) GSK3BSCN8AMCHR1
SCHEMBL17455915 0.76 CCNT1 (0.38) IKBKBCHUKPIK3CDGSK3B
SCHEMBL17456069 0.76 GSK3B (0.37) IKBKBCHUKPIK3CDGSK3B
SCHEMBL17455946 0.76 CDK9 (0.47) JAK2JAK3
SCHEMBL17456033 0.76 IKBKB (0.47) IKBKBCHUKPIK3CDJAK2JAK3
SCHEMBL17455963 0.75 SMN1; SMN2 (0.52) SCN8AMCHR1

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 1104/4885PIK3CD 4709/4885

“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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