SCHEMBL17455995

SCHEMBL17455995

O=S(=O)(C1CC1)N1CCC(Oc2cccnc2-c2ccncn2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.36
▸ NAMPT P43490 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ IKBKB O14920 2/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CYP46A1 Q9Y6A2 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL17455941 0.87 MCHR1 (0.41) NAMPTGSK3BPIK3CDMCHR1JAK2
SCHEMBL17456012 0.86 IKBKB (0.38) NAMPTMAPK11MAPK14GSK3BIKBKB
SCHEMBL17455933 0.86 CYP11B1 (0.38) GPR119NAMPTIKBKBPIK3CDMCHR1
SCHEMBL17455959 0.85 MCHR1 (0.42) GPR119NAMPTMCHR1JAK2JAK1
SCHEMBL17455915 0.81 CCNT1 (0.38) GSK3BIKBKBPIK3CDCHUKPIK3R1
SCHEMBL17456069 0.81 GSK3B (0.37) GSK3BIKBKBPIK3CDCHUKPIK3CA
SCHEMBL17464260 0.76 SCD (0.40) —
SCHEMBL17455939 0.74 IKBKB (0.48) NAMPTGSK3BIKBKBPIK3CDMCHR1
SCHEMBL17456033 0.74 IKBKB (0.47) NAMPTIKBKBPIK3CDMCHR1JAK2
SCHEMBL17455974 0.73 SMN1; SMN2 (0.50) MCHR1CYP46A1KCNH2

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 8 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
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 GPR119 1505/4885NAMPT 367/4885MAPK11 1632/4885

“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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