SCHEMBL17207677

SCHEMBL17207677

O=C(O)CN1CCN(c2nncc(-c3cccc4c3OCC4)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 18/20 0.58
▸ ALDH1A1 P00352 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.38

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
SCHEMBL18508396 0.83 CYP11B2 (0.64) CYP11B2
SCHEMBL17207675 0.83 CYP11B2 (0.64) CYP11B2
SCHEMBL18502913 0.79 CYP11B2 (0.47) CYP11B2
SCHEMBL17207637 0.72 CYP11B2 (0.65) CYP11B2
SCHEMBL18502895 0.71 CYP11B2 (0.68) CYP11B2
SCHEMBL17207562 0.71 CYP11B2 (0.72) CYP11B2
SCHEMBL3392361 0.70 PARP1 (0.40) CYP11B2ALDH1A1MAP4K1
SCHEMBL18489958 0.70 CYP11B2 (0.73) CYP11B2ALDH1A1
SCHEMBL17207657 0.69 CYP11B2 (0.73) CYP11B2
SCHEMBL17207661 0.68 CYP11B2 (0.66) CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US 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 (2 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-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885ALDH1A1 80/4885MAP4K1 1681/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885ALDH1A1 68/4885MAP4K1 1751/4885

“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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