Sugi Predict

Sugi Predict / Compounds / SCHEMBL17207668

SCHEMBL17207668

SCHEMBL17207668

OC1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 16/20 0.61
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL17207584 0.86 CYP11B2 (0.58) CYP11B2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL18106938 0.86 ALDH1A1 (0.69) CYP11B2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2561061 0.82 CYP11B2 (0.54) CYP11B2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL17207569 0.81 CYP11B2 (0.66) CYP11B2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL20402793 0.80 CYP11B2 (0.65) CYP11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL18489965 0.78 CYP11B2 (0.68) CYP11B2
SCHEMBL18502921 0.78 CYP11B2 (0.67) CYP11B2
SCHEMBL3451613 0.77 HSD17B10 (0.53) CYP11B2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL18489927 0.77 CYP11B2 (1.00) CYP11B2
SCHEMBL18489928 0.77 CYP11B2 (1.00) 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 6 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
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.