SCHEMBL18502906

SCHEMBL18502906

Clc1ccc(CNc2cnnc(N3CCOCC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 1.00
ACHE P22303 2/20 0.52
HTT P42858 2/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE5A O76074 1/20 0.43
GBA1 P04062 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIK3CA P42336 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL31361839 0.71 ALDH1A1 (0.56) CYP11B2HTTALDH1A1KDM4ELMNA
SCHEMBL17207650 0.71 ALDH1A1 (0.56) CYP11B2HTTALDH1A1KDM4ELMNA
SCHEMBL3640590 0.71 PDE5A (0.84) CYP11B2HTTALDH1A1KDM4EGAA
SCHEMBL9473324 0.69 CYP11B2 (0.53) CYP11B2ACHEHTTPKMALDH1A1
SCHEMBL8133848 0.69 CYP11B2 (0.53) CYP11B2HTTPKMALDH1A1KDM4E
SCHEMBL18489938 0.68 CYP11B2 (0.51) CYP11B2HTTALDH1A1KDM4ELMNA
SCHEMBL15918396 0.68 PLK4 (0.61) CYP11B2ACHEHTTALDH1A1KDM4E
SCHEMBL9281018 0.67 CYP11B2 (0.50) CYP11B2ACHEHTTPKMALDH1A1
SCHEMBL11898971 0.67 HTT (0.62) CYP11B2HTTALDH1A1KDM4ELMNA
SCHEMBL1964857 0.66 HDAC4 (0.54) CYP11B2HTTALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-106232587-A Novel disubstituted 1,2, 4-triazine compounds 田边三菱制药株式会社 2016-12-14 CN 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 19/4885ACHE 2859/4885HTT 4413/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885ACHE 2830/4885HTT 4364/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885ACHE 2859/4885HTT 4413/4885
US-20180305326-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885ACHE 2830/4885HTT 4364/4885

“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.