SCHEMBL17207673

SCHEMBL17207673

NN1CCN(c2nncc(-c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 13/20 0.62
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17207694 0.83 CYP11B2 (0.63) CYP11B2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL17207718 0.83 CYP11B2 (0.59) CYP11B2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL18566784 0.80 CYP11B2 (0.66) CYP11B2
SCHEMBL17207557 0.75 CYP11B2 (0.74) CYP11B2
SCHEMBL18489905 0.73 CYP11B2 (0.62) CYP11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL18502922 0.72 CYP11B2 (0.66) CYP11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL21133548 0.72 CYP11B2 (0.75) CYP11B2
SCHEMBL21133418 0.72 CYP11B2 (0.63) CYP11B2
SCHEMBL18489933 0.72 CYP11B2 (1.00) CYP11B2
SCHEMBL18566785 0.72 CYP11B2 (0.52) 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 7 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 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
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 (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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885ALDH1A1 68/4885MAPT 4335/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885ALDH1A1 80/4885MAPT 4101/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885ALDH1A1 68/4885MAPT 4335/4885

“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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