SCHEMBL17456033

SCHEMBL17456033

CCS(=O)(=O)N1CCC(Oc2cccnc2-c2ccncc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.47
▸ CHUK O15111 3/20 0.47
▸ PIK3CD O00329 3/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ RBP4 P02753 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL17455933 0.88 CYP11B1 (0.38) IKBKBCHUKPIK3CDCYP11B1CYP11B2
SCHEMBL17455917 0.87 CYP1A2 (0.47) IKBKBCHUKCYP11B1CYP11B2RBP4
SCHEMBL17455936 0.87 CACNB4 (0.39) IKBKBCHUKPIK3CDCYP11B1CYP11B2
SCHEMBL17456001 0.85 PIK3CD (0.46) IKBKBCHUKPIK3CDNAMPTPIK3CA
SCHEMBL17455979 0.85 MCHR1 (0.43) IKBKBCHUKPIK3CDCYP11B1CYP11B2
SCHEMBL17456034 0.85 CACNB4 (0.38) IKBKBCHUKPIK3CDCYP11B1CYP11B2
SCHEMBL17455913 0.83 LMNA (0.39) IKBKBCHUKPIK3CDCYP11B1CYP11B2
SCHEMBL17456044 0.83 MCHR1 (0.44) MCHR1NAMPTKDM4EMAPT
SCHEMBL17455952 0.83 KDM4E (0.47) POLBMCHR1ALDH1A1KDM4EMAPT
SCHEMBL17456004 0.83 SMN1; SMN2 (0.52) MCHR1ALDH1A1KDM4EMAPT

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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