SCHEMBL232376

SCHEMBL232376

CCOC(=O)c1nc(N)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HPGD P15428 4/20 0.54
KDM4E B2RXH2 4/20 0.54
HTT P42858 2/20 0.54
RECQL P46063 1/20 0.54
PDE4D Q08499 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 4/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
Sulfuric Acid SCHEMBL28510110 0.94 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL17610917 0.81 PDE4D (0.50) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL11376248 0.80 PDE4D (0.49) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL368898 0.79 HSD17B10 (0.53) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL4233387 0.79 PDE4D (0.47) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL17193766 0.76 PDE4D (0.45) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL25368833 0.75 PDE4D (0.44) ALDH1A1HPGDKDM4EHTTRECQL
Sulfuric Acid SCHEMBL28267131 0.74 HSD17B10 (0.47) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL23002391 0.73 PDE4D (0.42) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL27567131 0.73 HSD17B10 (0.33) ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096215-B Nitrogen-rich energetic material 3-amino-3 '-nitro-amino-5, 5' -bi-1, 2, 4-triazole and preparation method thereof 中国工程物理研究院化工材料研究所 2021-01-26 CN claimed
CN-112778317-B Synthetic method of [1,2,4] triazolo [1,5-a ] pyrimidine compound 安徽工业大学 2022-04-12 CN disclosed
CN-109096215-B Nitrogen-rich energetic material 3-amino-3 '-nitro-amino-5, 5' -bi-1, 2, 4-triazole and preparation method thereof 中国工程物理研究院化工材料研究所 2021-01-26 CN disclosed
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8569314-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
US-6831177-B1 Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives SHIONOGI & CO., LTD. (JP) 2004-12-14 US disclosed
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP disclosed
US-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed
US-4051099-A ISOINDOLES CIBA-GEIGY CORPORATION (US) 1977-09-27 US 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-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 ALDH1A1 197/4885HPGD 16/4885KDM4E 4248/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 ALDH1A1 197/4885HPGD 16/4885KDM4E 4248/4885

“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.