SCHEMBL15729262

SCHEMBL15729262

Cn1cc(-c2ccc(CN)c(F)c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.41
▸ GSK3B P49841 5/20 0.40
▸ DYRK1A Q13627 5/20 0.40
▸ WNT1 P04628 4/20 0.40
▸ CASP6 P55212 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ SRC P12931 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 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
SCHEMBL15542994 0.81 GSK3B (0.44) DPP4GSK3BDYRK1AWNT1MAPK1
SCHEMBL17091191 0.79 KEAP1 (0.49) CASP6MAPK1GRIN2B
SCHEMBL17795637 0.78 GSK3B (0.46) GSK3BDYRK1AWNT1CA1CA2
SCHEMBL20868849 0.77 KMO (0.44) GSK3BDYRK1AWNT1MAPK1CA1
SCHEMBL17806601 0.75 GSK3B (0.41) DPP4GSK3BDYRK1AWNT1MAPK1
SCHEMBL15112015 0.75 CHRM1 (0.55) —
SCHEMBL15729597 0.74 HRH3 (0.45) DPP4BRD4
SCHEMBL20868458 0.74 GSK3B (0.39) GSK3BDYRK1AWNT1
SCHEMBL23559594 0.72 GSK3B (0.49) GSK3BDYRK1AWNT1MAPK1SRC
SCHEMBL17091082 0.72 PRMT5 (0.50) MAPK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144308-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-06-24 — — EP disclosed
US-10208046-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-19 — — US disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 — — EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 — — EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
US-9732086-B2 — — 2017-08-15 — — US disclosed
US-9732086-B2 — — 2017-08-15 — — US disclosed
US-9732086-B2 — — 2017-08-15 — — US disclosed
US-20170081332-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-23 — — US disclosed
EP-3144308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-03-22 — — EP disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 — — US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 — — US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 — — US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 — — EP disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 — — EP disclosed
WO-2014077401-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2014-05-22 — — WO 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 (3 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-10208046-B2 Nitrogen-containing heterocyclic compound CHRM1, CHRM5, CHRM2 DPP4 3435/4885GSK3B 1657/4885DYRK1A 1815/4885
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 DPP4 4542/4885GSK3B 1755/4885DYRK1A 2893/4885
US-20170081332-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 DPP4 3435/4885GSK3B 1657/4885DYRK1A 1815/4885

“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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