SCHEMBL17767038

SCHEMBL17767038

O=C(Cn1nnc2ccccc2c1=O)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 12/20 1.00
▸ GAA P10253 1/20 1.00
▸ L3MBTL1 Q9Y468 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 0.83
▸ ALDH1A1 P00352 1/20 0.78
▸ MAPK1 P28482 1/20 0.64
▸ POLB P06746 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.59
▸ RAB9A P51151 1/20 0.58
▸ HTT P42858 1/20 0.58

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
SCHEMBL17767090 0.92 GPR139 (0.85) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17767205 0.91 GPR139 (1.00) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17769074 0.91 SMN1; SMN2 (1.00) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17766917 0.91 GPR139 (1.00) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17767162 0.89 GPR139 (0.82) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17767085 0.88 GPR139 (1.00) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17769135 0.84 GPR139 (0.77) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL15203552 0.80 ALDH1A1 (0.67) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17767112 0.80 GPR139 (0.81) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17767010 0.80 GPR139 (1.00) GPR139GAAL3MBTL1SMN1; SMN2ALDH1A1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536324-B1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICALS CO (JP) 2021-10-06 — — EP claimed
US-20200129518-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2020-04-30 — — US claimed
US-10561662-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-18 — — US claimed
EP-3221298-B1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE DERIVATIVES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICALS CO (JP) 2019-04-03 — — EP claimed
US-20190070187-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2019-03-07 — — US claimed
US-10159677-B2 4-OXO-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-12-25 — — US claimed
US-20170348319-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2017-12-07 — — US claimed
EP-3221298-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 Takeda Pharmaceutical Company Limited (JP) 2017-09-27 — — EP claimed
US-9770450-B2 4-OXO-3,4-dihydro-1,2,3-benzotriazine as modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 — — US claimed
US-20170095480-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2017-04-06 — — US claimed
US-20160145218-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2016-05-26 — — US claimed
WO-2016081736-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-26 — — WO claimed
CN-112062730-B 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2023-09-29 — — CN disclosed
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 — — US disclosed
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 — — US disclosed
EP-3536324-B1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICALS CO (JP) 2021-10-06 — — EP disclosed
US-9556130-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-31 — — US disclosed
WO-2016081736-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-26 — — WO disclosed
US-20160145218-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2016-05-26 — — US disclosed
US-20160145218-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2016-05-26 — — 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 (8 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-20190070187-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885GAA 1750/4885L3MBTL1 4279/4885
US-20200129518-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885GAA 1750/4885L3MBTL1 4279/4885
US-20170095480-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE AS MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885GAA 2037/4885L3MBTL1 4236/4885
US-20160145218-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885GAA 1750/4885L3MBTL1 4279/4885
US-10561662-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 GPR139 1/4885GAA 1750/4885L3MBTL1 4279/4885
US-10159677-B2 4-OXO-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 GPR139 1/4885GAA 1750/4885L3MBTL1 4279/4885
US-20170348319-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885GAA 1750/4885L3MBTL1 4279/4885
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 GPR139 1/4885GAA 1750/4885L3MBTL1 4279/4885

“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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