Sugi Predict

Sugi Predict / Compounds / SCHEMBL17207709

SCHEMBL17207709

SCHEMBL17207709

CNC1CCN(Cc2[nH]cnc2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.35
▸ BACE1 P56817 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ BCHE P06276 2/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL14197755 0.78 ACHE (0.38) ACHEJAK2JAK1TYK2JAK3
SCHEMBL9536620 0.73 CDC7 (0.41) ACHEBACE1JAK1KMT2ALMNA
SCHEMBL17207712 0.73 HRH4 (0.36) ACHEBACE1HRH4BCHEKMT2A
SCHEMBL4649155 0.72 ALOX15 (0.65) HRH4LMNAROCK2ROCK1CDC42BPB
SCHEMBL4623759 0.72 HRH3 (0.51) HRH4SIGMAR1KMT2AMAPTMEN1
SCHEMBL18502880 0.71 CYP11B2 (0.44) HRH4POLB
SCHEMBL360075 0.68 ACHE (0.68) ACHEBACE1SIGMAR1BCHEKMT2A
SCHEMBL18234746 0.68 ALDH1A1 (0.51) RAB9AKMT2AMAPTMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL5862090 0.67 ACHE (0.66) ACHEBACE1SIGMAR1BCHEKMT2A
Hydrochloric Acid SCHEMBL8055676 0.67 ACHE (0.66) ACHEBACE1SIGMAR1BCHEKMT2A

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 ACHE 2859/4885BACE1 2124/4885HRH4 1347/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 ACHE 2830/4885BACE1 1738/4885HRH4 1292/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 ACHE 2859/4885BACE1 2124/4885HRH4 1347/4885

“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.