SCHEMBL17455913

SCHEMBL17455913

O=S(=O)(N1CCOCC1)N1CCC(Oc2cccnc2-c2ccncc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 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
SCHEMBL17455933 0.86 CYP11B1 (0.38) CYP11B1CYP11B2IKBKBCHUKPDE10A
SCHEMBL17456033 0.83 IKBKB (0.47) L3MBTL1JAK2JAK1MAPTCYP11B1
SCHEMBL17455979 0.81 MCHR1 (0.43) LMNAL3MBTL1CYP2C9CYP2C19HTT
SCHEMBL17456034 0.81 CACNB4 (0.38) JAK2JAK1CYP11B1CYP11B2IKBKB
SCHEMBL17455936 0.81 CACNB4 (0.39) L3MBTL1JAK2CYP11B1CYP11B2IKBKB
SCHEMBL17455917 0.81 CYP1A2 (0.47) LMNAMAPTCYP11B1CYP11B2IKBKB
SCHEMBL17456044 0.80 MCHR1 (0.44) LMNAMAPTKDM4E
SCHEMBL17455952 0.80 KDM4E (0.47) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17456004 0.77 SMN1; SMN2 (0.52) MAPTCYP2C19HTTKDM4EALDH1A1
SCHEMBL17456007 0.77 TDP1 (0.47) MAPTCYP2C9CYP2C19CYP11B1CYP11B2

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 LMNA 1584/4885L3MBTL1 2698/4885JAK2 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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