SCHEMBL17767113

SCHEMBL17767113

O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 16/20 0.67
▸ ALDH1A1 P00352 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ GAA P10253 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL17767188 0.88 GPR139 (0.70) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL17766979 0.86 GPR139 (0.74) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL17767084 0.84 GPR139 (0.82) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL17767008 0.83 SMN1; SMN2 (0.81) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL17767162 0.83 GPR139 (0.82) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL17767010 0.81 GPR139 (1.00) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL17767112 0.81 GPR139 (0.81) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL17767026 0.80 GPR139 (0.64) GPR139SMN1; SMN2GAAL3MBTL1POLB
SCHEMBL17767240 0.77 GPR139 (0.71) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL17767136 0.77 GPR139 (0.60) GPR139ALDH1A1SMN1; SMN2GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-112062730-A 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2020-12-11 — — CN disclosed
CN-107108531-B 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2020-10-20 — — CN disclosed
US-20200129518-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2020-04-30 — — US disclosed
US-10561662-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-18 — — US disclosed
EP-3536324-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 Takeda Pharmaceutical Company Limited (JP) 2019-09-11 — — EP disclosed
US-20190070187-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2019-03-07 — — US disclosed
US-10159677-B2 4-OXO-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-12-25 — — US disclosed
US-20170348319-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2017-12-07 — — US disclosed
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 disclosed
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 disclosed
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 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
US-20160145218-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2016-05-26 — — 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

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 1/4885ALDH1A1 1826/4885SMN1; SMN2 3239/4885
US-20200129518-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885ALDH1A1 1826/4885SMN1; SMN2 3239/4885
US-20170095480-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE AS MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885ALDH1A1 1602/4885SMN1; SMN2 3466/4885
US-20160145218-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885ALDH1A1 1826/4885SMN1; SMN2 3239/4885
US-10561662-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 GPR139 1/4885ALDH1A1 1826/4885SMN1; SMN2 3239/4885
US-10159677-B2 4-OXO-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 GPR139 1/4885ALDH1A1 1826/4885SMN1; SMN2 3239/4885
US-20170348319-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 GPR139 1/4885ALDH1A1 1826/4885SMN1; SMN2 3239/4885
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 GPR139 1/4885ALDH1A1 1826/4885SMN1; SMN2 3239/4885

“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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