SCHEMBL2784971

SCHEMBL2784971

Brc1ccccc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL28848641 0.84 ESR2 (0.51) GAANOS3NOS1NOS2ESR1
SCHEMBL28815005 0.83 GAA (0.41) GAANOS3NOS1NOS2ESR1
SCHEMBL18047920 0.82 GAA (0.39) GAANOS3NOS1NOS2ESR1
SCHEMBL7863180 0.79 KMT2A (0.55) GAANOS3NOS1NOS2MEN1
SCHEMBL11574278 0.79 NOS3 (0.42) NOS3NOS1NOS2ESR1ESR2
SCHEMBL6500347 0.76 MAPT (0.52) GAAESR1ESR2MEN1KMT2A
SCHEMBL14499867 0.74 GAA (0.42) GAAESR1MEN1KMT2ANPC1
SCHEMBL13967956 0.74 GAA (0.46) GAAESR1ESR2MEN1KMT2A
SCHEMBL15275530 0.74 ESR2 (0.75) GAAESR1ESR2MEN1KMT2A
SCHEMBL13209060 0.74 GAA (0.50) GAAESR1ESR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2017-10-26 US disclosed
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2017-10-26 US disclosed
US-9738663-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters EUTICALS S.P.A. (IT) 2017-08-22 US disclosed
US-9738663-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters EUTICALS S.P.A. (IT) 2017-08-22 US disclosed
EP-2994473-B1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS EUTICALS SPA (IT) 2016-12-21 EP disclosed
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2016-03-17 US disclosed
EP-1988095-B1 Method for manufacturing aminoaryl or heteroaryl boronic acid and their derivatives EUTICALS GMBH (DE) 2016-01-27 EP disclosed
EP-2801577-A1 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters Euticals S.P.A. (IT) 2014-11-12 EP disclosed
US-8648075-B2 Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-30 US disclosed
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 EP disclosed
EP-1988095-A2 Method for manufacturing aminoaryl or heteroaryl boronic acid and their derivatives Archimica GmbH (DE) 2008-11-05 EP disclosed
US-20080269523-A1 Preparation of Aminoaryl and Aminoheteroaryl Boronic Acids and Derivatives Thereof ARCHIMICA GMBH (DE) 2008-10-30 US disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 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 (5 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-20080269523-A1 Preparation of Aminoaryl and Aminoheteroaryl Boronic Acids and Derivatives Thereof BCAT1, BCAT2, AADAT GAA 1490/4885NOS3 720/4885NOS1 1774/4885
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT GAA 3541/4885NOS3 125/4885NOS1 265/4885
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 GAA 817/4885NOS3 2523/4885NOS1 2961/4885
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 GAA 1756/4885NOS3 2077/4885NOS1 2700/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT GAA 3541/4885NOS3 125/4885NOS1 265/4885

“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.