SCHEMBL2723593

SCHEMBL2723593

CC1CNc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
CREBBP Q92793 4/20 0.50
EP300 Q09472 1/20 0.50
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
CYP1A2 P05177 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.42
BRPF1 P55201 1/20 0.41
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
GFER P55789 1/20 0.35
NISCH Q9Y2I1 2/20 0.34
NOS2 P35228 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL15508279 1.00 BRD4 (0.50) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL19225173 1.00 BRD4 (0.50) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL30570961 1.00 BRD4 (0.50) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL29898376 1.00 BRD4 (0.50) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL28519858 0.79 BRD4 (0.37) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL29988014 0.79 BRD4 (0.37) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL4911575 0.78 BRD4 (0.47) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL4910769 0.78 BRD4 (0.47) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL4906005 0.78 BRD4 (0.47) BRD4CREBBPEP300RAB9ANPC1
SCHEMBL30124448 0.78 SMN1; SMN2 (0.48) BRD4CREBBPEP300RAB9ANPC1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143018-A Synthesis method of rare earth catalytic nitrogen-containing heterocyclic compound 温州大学新材料与产业技术研究院 2023-12-01 CN disclosed
CN-112266364-B Preparation method of tetrahydroquinoxaline compound 云南民族大学 2023-11-17 CN disclosed
CN-116751170-A Method for directly preparing semi-hydrogenated nitrogen-containing aromatic heterocyclic compound from sugar 浙江大学 2023-09-15 CN disclosed
CN-114957138-A Quinoxaline asymmetric hydrogenation method 哈尔滨工业大学(深圳) 2022-08-30 CN disclosed
CN-109053567-B Method for reducing nitrogen-containing heterocyclic compound by hydrogen transfer 西南石油大学 2021-09-21 CN disclosed
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-08-10 US disclosed
CN-112266364-A Preparation method of tetrahydroquinoxaline compound 云南民族大学 2021-01-26 CN disclosed
CN-110483420-B Preparation method of tetrahydroquinoxaline compound 云南民族大学 2021-01-15 CN disclosed
US-10822364-B2 Compositions and methods comprising conductive metal organic frameworks and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-11-03 US disclosed
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 US disclosed
EP-2609103-B1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO PERFUMERY CO LTD (JP) 2015-08-19 EP disclosed
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-30 US disclosed
WO-2015074081-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 WO disclosed
US-20150094468-A1 NOVEL DIAMINE COMPOUND AND METAL COMPLEXES, AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-02 US disclosed
EP-2609103-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS Takasago International Corporation (JP) 2013-07-03 EP disclosed
US-20130158276-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-06-20 US disclosed
US-20130158276-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-06-20 US disclosed
WO-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO disclosed
WO-2013026890-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO disclosed
WO-2012026201-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-01 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 (6 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-20130158276-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH1A, ADH1C, ADH5 BRD4 2337/4885CREBBP 3236/4885EP300 1087/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885EP300 15/4885
US-10822364-B2 Compositions and methods comprising conductive metal organic frameworks and uses thereof ILK, AOC1, OCIAD2 BRD4 2101/4885CREBBP 4218/4885EP300 1762/4885
US-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885EP300 15/4885
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE HRH3, HRH1, ATIC BRD4 3939/4885CREBBP 4212/4885EP300 2178/4885
US-20150094468-A1 NOVEL DIAMINE COMPOUND AND METAL COMPLEXES, AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS AOC1, SAT1, ODC1 BRD4 1346/4885CREBBP 3125/4885EP300 1428/4885

“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.