SCHEMBL17456001

SCHEMBL17456001

CCS(=O)(=O)N1CCC(Oc2nccnc2-c2ccncc2)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.46
▸ PDE10A Q9Y233 2/20 0.44
▸ IKBKB O14920 4/20 0.43
▸ CHUK O15111 3/20 0.42
▸ NAMPT P43490 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ NAAA Q02083 1/20 0.37

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
SCHEMBL17455962 0.87 PDE10A (0.45) PIK3CDPDE10ANAMPTPIK3CANAAA
SCHEMBL17456033 0.85 IKBKB (0.47) PIK3CDIKBKBCHUKNAMPTKDM4E
SCHEMBL17456039 0.82 MAPT (0.55) PIK3CDKDM4EPIK3CA
SCHEMBL17455969 0.81 HTR2B (0.43) PDE10ANAMPT
SCHEMBL21238828 0.81 PDE10A (0.50) PIK3CDPDE10APIK3CA
SCHEMBL17456027 0.81 CHRM1 (0.46) PIK3CDPDE10APIK3CANAAA
SCHEMBL17455999 0.78 SCN3A (0.40) PDE10APIK3CA
SCHEMBL17455990 0.75 IKBKB (0.53) PIK3CDIKBKBCHUK
SCHEMBL17455989 0.74 IKBKB (0.52) PIK3CDIKBKBCHUK
SCHEMBL17456051 0.73 PIK3CD (0.54) PIK3CDPIK3CA

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 PIK3CD 4709/4885PDE10A 1444/4885IKBKB 2723/4885

“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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