SCHEMBL4476006

SCHEMBL4476006

CN1C(=O)CNc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 1.00
BRD4 O60885 3/20 0.51
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
OGFRL1 Q5TC84 1/20 0.46
HSD17B3 P37058 1/20 0.45
EDNRA P25101 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
CCKBR P32239 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
CREBBP Q92793 1/20 0.38
TTR P02766 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL30537994 1.00 BRPF1 (1.00) BRPF1BRD4OPRM1OPRD1OPRK1
SCHEMBL5230478 0.81 BRPF1 (0.69) BRPF1BRD4OPRM1OPRD1OPRK1
SCHEMBL13158906 0.79 BRPF1 (0.66) BRPF1BRD4CREBBPTTRCES1
SCHEMBL1364964 0.78 BRPF1 (0.64) BRPF1BRD4OPRM1GABRA1GABRG2
SCHEMBL11455051 0.78 BRPF1 (0.63) BRPF1BRD4OPRM1OPRD1OPRK1
SCHEMBL4158789 0.77 BRPF1 (0.62) BRPF1BRD4OPRK1HSD17B3KMT2A
SCHEMBL31298630 0.77 BRPF1 (0.62) BRPF1BRD4OPRM1OPRD1OPRK1
SCHEMBL10720372 0.77 BRPF1 (0.62) BRPF1BRD4OPRM1OPRD1OPRK1
SCHEMBL28008000 0.77 BRPF1 (0.62) BRPF1BRD4OPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL9389187 0.77 BRPF1 (0.62) BRPF1BRD4OPRM1GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535087-B Synthetic method of quinoxaline-2 (1H) -ketone C-3 site aroyl compound 湖南科技学院 2020-07-31 CN disclosed
CN-109535086-B Synthetic method of quinoxaline-2 (1H) -ketone C-3 carboxylate compound 湖南科技学院 2020-05-05 CN disclosed
EP-1555266-B1 REMEDIES OR PREVENTIVES FOR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES (JP) 2014-05-21 EP disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7320984-B2 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES, INC. (JP) 2008-01-22 US disclosed
US-20060040970-A1 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES, INC. (JP) 2006-02-23 US disclosed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
EP-1555266-A1 REMEDIES OR PREVENTIVES FOR URINARY FREQUENCY OR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES, INC. (JP) 2005-07-20 EP disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed
US-4764512-A Benzodiazinone-pyridone compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-08-16 US disclosed
EP-0118982-A1 Organic phosphorous quinoxalinone and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-19 EP disclosed
US-RE30415-E ANTIINFLAMMATORY AGENTS, ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1980-10-07 US disclosed
US-RE30314-E ANTIINFLAMMATORY, ANTITHROMBOTIC ELI LILLY AND COMPANY (US) 1980-06-24 US disclosed
US-4133884-A Substituted pyrroloquinoxalinones and diones used in treating inflammation in warm blooded mammals ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4087527-A ANTIINFLAMMATORY AND ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4075206-A ANTIINFLAMMATORY, ANTITHROMBOTIC ELI LILLY AND COMPANY (US) 1978-02-21 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-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R BRPF1 4134/4885BRD4 2189/4885OPRM1 427/4885
US-20060040970-A1 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group MYH10, H1-10, MB BRPF1 3338/4885BRD4 2736/4885OPRM1 105/4885

“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.