SCHEMBL16229870

SCHEMBL16229870

Brc1ccc(N=C(c2ccccc2)c2ccccc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.58
ADRA2B P18089 7/20 0.58
ADRA2C P18825 7/20 0.58
PLAU P00749 3/20 0.58
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL18797369 0.79 KMT2A (0.40) ADRA2AADRA2BADRA2CPLAURAB9A
SCHEMBL4667940 0.78 ESR1 (0.37) ADRA2AADRA2BADRA2CPLAUALDH1A1
Ammonia Solution, Strong SCHEMBL4908574 0.76 ESR1 (0.36) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL16229869 0.76 CA4 (0.38) ADRA2AADRA2BADRA2CPLAUESR1
SCHEMBL29739463 0.75 MAPT (0.37) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL2729935 0.73 ADRA2A (0.59) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL24068036 0.72 RAB9A (0.36) ADRA2AADRA2BADRA2CPLAURAB9A
SCHEMBL31507859 0.72 CYP19A1 (0.34) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL30339156 0.72 RAB9A (0.36) ADRA2AADRA2BADRA2CPLAURAB9A
SCHEMBL21355585 0.71 KMT2A (0.43) ADRA2AADRA2BADRA2CALDH1A1KDM4E

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 7 patents. 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-2801577-A1 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters Euticals S.P.A. (IT) 2014-11-12 EP 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-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 ADRA2A 479/4885ADRA2B 468/4885ADRA2C 745/4885
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 ADRA2A 1082/4885ADRA2B 808/4885ADRA2C 960/4885

“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.