SCHEMBL904835

SCHEMBL904835

CN1C(=O)NCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.50
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
HSD17B3 P37058 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
TTR P02766 1/20 0.38
CES1 P23141 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL30100793 1.00 BRPF1 (0.50) BRPF1CA12CA9HSD17B3CA1
SCHEMBL10668672 0.81 PDPK1 (0.47) BRPF1CA12CA9HSD17B3CA1
SCHEMBL4158789 0.78 BRPF1 (0.62) BRPF1CA12CA9HSD17B3BRD4
SCHEMBL2945673 0.77 BRPF1 (0.56) BRPF1CA12CA9CA1CA2
SCHEMBL29540791 0.77 ADRA2A (0.49) BRPF1CA12CA9HSD17B3ADRA2A
SCHEMBL16318451 0.76 CA12 (0.44) BRPF1CA12CA9HSD17B3NOTUM
SCHEMBL14530644 0.76 CA12 (0.44) BRPF1CA12CA9HSD17B3NOTUM
SCHEMBL165711 0.76 AADAT (0.47) BRPF1CA12CA9HSD17B3NOTUM
SCHEMBL27084587 0.76 CA12 (0.44) BRPF1CA12CA9HSD17B3BRD4
SCHEMBL13091595 0.76 PARP10 (0.41) NOTUMALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
CN-108503583-B Alkylation method of nitrogen-hydrogen-containing compound and application thereof 江南大学 2020-10-09 CN disclosed
WO-2007065948-A1 NOVEL N-SULFAMOYL-PIPERIDINEAMIDES FOR THE PROPHYLAXIS OR TREATMENT OF OBESITY AND RELATED CONDITIONS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-14 WO disclosed
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US disclosed
US-4906630-A Method of increasing cardiac contractility using pharmaceutical compositions comprising benzodiazinone- pyridazinone or hydroxy-pyrazolyl compounds RORER PHARMACEUTICAL CORPORATION (US) 1990-03-06 US disclosed
US-4868300-A INOTROPIC AGENTS, CONGESTIVE HEART FAILURE RORER PHARMACEUTICAL CORPORATION (US) 1989-09-19 US disclosed
US-4785101-A CONGESTIVE HEART FAILURE RORER PHARMACEUTICAL CORPORATION (US) 1988-11-15 US 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-0247177-A4 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. RORER INTERNAT OVERSEAS INC (US) 1988-04-06 EP disclosed
US-4725686-A CONGESTIVE HEART FAILURE WILLIAM H. RORER, INC. (US) 1988-02-16 US disclosed
EP-0247177-A1 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-12-02 EP disclosed
WO-1987003201-A1 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-06-04 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 (7 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 BRPF1 510/4885CA12 4781/4885CA9 4742/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 BRPF1 2133/4885CA12 4750/4885CA9 4465/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 BRPF1 533/4885CA12 4815/4885CA9 4771/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 BRPF1 533/4885CA12 4815/4885CA9 4771/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 BRPF1 228/4885CA12 4614/4885CA9 4607/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 BRPF1 2133/4885CA12 4750/4885CA9 4465/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 BRPF1 228/4885CA12 4614/4885CA9 4607/4885

“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.