SCHEMBL906548

SCHEMBL906548

[NH]C(C1=NCCN1)C1=NCCN1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.40
ADRA2B P18089 11/20 0.40
ADRA2C P18825 11/20 0.40
NISCH Q9Y2I1 6/20 0.40
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
HTR1A P08908 2/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 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
SCHEMBL8807072 0.74 ADRA2A (0.51) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL112179 0.74
Hydrochloric Acid SCHEMBL4060690 0.72
SCHEMBL28353595 0.72
Hydrochloric Acid SCHEMBL1690425 0.72 ADRA2A (0.50) ADRA2AADRA2BADRA2CNISCHMAOA
Hydrochloric Acid SCHEMBL6689660 0.72 ADRA2A (0.50) ADRA2AADRA2BADRA2CNISCHMAOA
Water SCHEMBL27801507 0.72 ADRA2A (0.47) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL9439738 0.70
SCHEMBL12945682 0.70
SCHEMBL7402699 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2020-08-18 US disclosed
EP-3312292-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2019-09-25 EP disclosed
EP-1885875-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2019-05-22 EP disclosed
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-01-31 US disclosed
US-10077244-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2018-09-18 US disclosed
EP-3312292-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS Promega Corporation (US) 2018-04-25 EP disclosed
EP-2778234-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2017-09-27 EP disclosed
EP-2545041-B1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORP (US) 2017-08-02 EP disclosed
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 US disclosed
EP-2331517-B1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORP (US) 2016-06-08 EP disclosed
US-20100075351-A1 BIOLUMINESCENT DETECTION OF CYANOHYDROXY BENZOTHIAZOLE COMPOUNDS PROMEGA CORPORATION (US) 2010-03-25 US disclosed
WO-2010030343-A1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORPORATION (US) 2010-03-18 WO disclosed
EP-2142665-A2 LUMINESCENT LIVE AND DEAD CELL ASSAY PROMEGA CORPORATION (US) 2010-01-13 EP disclosed
WO-2008127677-A9 LUMINESCENT LIVE AND DEAD CELL ASSAY PROMEGA CORP (US) 2009-03-12 WO disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 US disclosed
WO-2008127677-A2 LUMINESCENT LIVE AND DEAD CELL ASSAY PROMEGA CORPORATION (US) 2008-10-23 WO disclosed
EP-1935986-A2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-06-25 EP disclosed
EP-1885875-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2008-02-13 EP disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
WO-2006130551-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2006-12-07 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-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ADRA2A 4171/4885ADRA2B 3453/4885ADRA2C 3771/4885
US-10077244-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ADRA2A 4140/4885ADRA2B 3403/4885ADRA2C 3678/4885
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ADRA2A 4171/4885ADRA2B 3453/4885ADRA2C 3771/4885
US-20100075351-A1 BIOLUMINESCENT DETECTION OF CYANOHYDROXY BENZOTHIAZOLE COMPOUNDS BLVRB, BTD, BBOX1 ADRA2A 4072/4885ADRA2B 3188/4885ADRA2C 3848/4885
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD ADRA2A 4171/4885ADRA2B 3453/4885ADRA2C 3771/4885
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD ADRA2A 4140/4885ADRA2B 3403/4885ADRA2C 3678/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ADRA2A 4229/4885ADRA2B 3506/4885ADRA2C 4257/4885

“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.