SCHEMBL17207654

SCHEMBL17207654

CC(C)NC(=O)CN1CCN(c2nncc(-c3ccc(C#N)nc3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 19/20 1.00
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL18791085 0.84 CYP11B2 (0.73) CYP11B2KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL17207558 0.84 CYP11B2 (0.75) CYP11B2
SCHEMBL18502833 0.83 CYP11B2 (0.76) CYP11B2
SCHEMBL18790986 0.79 CYP11B2 (0.65) CYP11B2KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL18489991 0.78 CYP11B2 (0.65) CYP11B2
SCHEMBL17207578 0.75 CYP11B2 (0.63) CYP11B2KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL18489951 0.75 CYP11B2 (0.59) CYP11B2KDM4EALDH1A1SMN1; SMN2
SCHEMBL17207648 0.74 CYP11B2 (0.58) CYP11B2KDM4EALDH1A1SMN1; SMN2
SCHEMBL17207592 0.74 CYP11B2 (0.59) CYP11B2
SCHEMBL18566529 0.73 CYP11B2 (0.57) CYP11B2KDM4EALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US claimed
US-20180305326-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-10-25 — — US claimed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US claimed
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP claimed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US claimed
CN-106232587-B Disubstituted 1,2, 4-triazine compounds 田边三菱制药株式会社 2021-04-13 — — CN disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
US-20180305326-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-10-25 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP disclosed
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
WO-2015163427-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND 田辺三菱製薬株式会社 2015-10-29 — — 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 (4 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885KDM4E 3154/4885ALDH1A1 68/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885KDM4E 3337/4885ALDH1A1 80/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885KDM4E 3154/4885ALDH1A1 68/4885
US-20180305326-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885KDM4E 3337/4885ALDH1A1 80/4885

“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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