SCHEMBL17084397

SCHEMBL17084397

COc1ccc(-c2cn(Cc3ccccc3)nn2)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
NPC1 O15118 3/20 0.77
RAB9A P51151 3/20 0.77
CYP19A1 P11511 2/20 0.74
HSP90AA1 P07900 2/20 0.71
HSP90AB1 P08238 2/20 0.71
PTGS2 P35354 1/20 0.67
CD74 P04233 1/20 0.66
MIF P14174 1/20 0.66
KDR P35968 2/20 0.65
SNCA P37840 1/20 0.61
CDC7 O00311 1/20 0.60
NLRP3 Q96P20 1/20 0.60
EPHB4 P54760 2/20 0.59
TEK Q02763 1/20 0.59

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
SCHEMBL28330051 0.94 MEN1 (0.77) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL15836586 0.89 CYP19A1 (0.93) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL23259254 0.88 MEN1 (0.70) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL12037700 0.87 CYP19A1 (0.68) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL25055360 0.87 MEN1 (0.80) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL935182 0.86 CYP19A1 (1.00) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL25224063 0.86 MEN1 (0.78) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL26619048 0.86 MEN1 (0.78) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL12535881 0.85 NPC1 (0.88) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL30991876 0.85 CD74 (0.81) MEN1KMT2ANPC1RAB9ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290354-A Preparation method of 1, 4-disubstituted triazole 大连理工大学 2024-07-05 CN disclosed
CN-117160485-A Preparation and application of supported superfine AgCu nanocrystalline catalyst 安徽大学 2023-12-05 CN disclosed
CN-113117724-B Recoverable supported Au52Cu72 (SR) 55 cluster catalyst and application thereof 安徽大学 2023-09-08 CN disclosed
CN-116589418-A 2-triazoloethane-1-one/alcohol HSP90/HIF-1 inhibitor and application thereof 大连理工大学 2023-08-15 CN disclosed
CN-112275322-B Preparation method and application of supported CNTs @ NHC-Cu catalytic material 中国科学院兰州化学物理研究所 2022-01-25 CN disclosed
CN-113117724-A Recoverable supported Au52Cu72(SR)55 cluster catalyst and application thereof 安徽大学 2021-07-16 CN disclosed
US-11027260-B2 Low pressure nanowire membrane for catalytic reactions and methods of making and using the same UCHICAGO ARGONNE, LLC (US) 2021-06-08 US disclosed
US-11027260-B2 Low pressure nanowire membrane for catalytic reactions and methods of making and using the same UCHICAGO ARGONNE, LLC (US) 2021-06-08 US disclosed
CN-112275322-A Preparation method and application of supported CNTs @ NHC-Cu catalytic material 中国科学院兰州化学物理研究所 2021-01-29 CN disclosed
US-20200254426-A1 LOW PRESSURE NANOWIRE MEMBRANE FOR CATALYTIC REACTIONS AND METHODS OF MAKING AND USING THE SAME UCHICAGO ARGONNE, LLC 2020-08-13 US disclosed
CN-108033924-A A kind of method for efficiently preparing 1,2,3- triazole derivatives 云南民族大学 2018-05-15 CN disclosed
US-20150259305-A1 CATALYTIC REACTION NATIONAL TSING HUA UNIVERSITY (TW) 2015-09-17 US disclosed
US-20150259305-A1 CATALYTIC REACTION NATIONAL TSING HUA UNIVERSITY (TW) 2015-09-17 US disclosed
CN-102603660-B Preparation method of 1H-1,2,3-triazole compound UNIV ZHEJIANG TECHNOLOGY 2014-07-02 CN disclosed
CN-102603660-A Preparation method of 1H-1,2,3-triazole compound UNIV ZHEJIANG TECHNOLOGY 2012-07-25 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 (1 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-20150259305-A1 CATALYTIC REACTION HAO2, CAT, HAAO MEN1 1461/4885KMT2A 1028/4885NPC1 4322/4885

“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.