Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4910431

Brc1cccc(N=C(c2ccccc2)c2ccccc2)c1.N

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.48
ESR2 Q92731 5/20 0.48
IDO1 P14902 6/20 0.43
TDO2 P48775 3/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
C1S P09871 1/20 0.40

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
SCHEMBL4668221 0.98 ESR1 (0.50) ESR1ESR2IDO1TDO2HPGD
SCHEMBL4450591 0.77 ESR2 (0.74) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL5249715 0.77 ESR2 (0.62) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL986215 0.76 ESR2 (0.68) ESR1ESR2MEN1KMT2A
SCHEMBL6547544 0.76 ESR1 (0.50) ESR1ESR2IDO1HPGDKMT2A
SCHEMBL20033062 0.76 C1S (0.46) HPGDMEN1LMNAALOX12KMT2A
SCHEMBL12336908 0.75 ESR2 (0.78) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL29343067 0.75 ESR2 (0.46) ESR1ESR2LMNASMN1; SMN2
SCHEMBL14744545 0.75 ESR1 (0.46) ESR1ESR2IDO1TDO2KMT2A
SCHEMBL12076821 0.73 MEN1 (0.66) HPGDMEN1KMT2AGAANFKB1

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-10196406-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters EUTICALS S.P.A. (IT) 2019-02-05 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
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
US-20080269523-A1 Preparation of Aminoaryl and Aminoheteroaryl Boronic Acids and Derivatives Thereof ARCHIMICA GMBH (DE) 2008-10-30 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 (4 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 ESR1 2053/4885ESR2 2415/4885IDO1 889/4885
US-10196406-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters AADAT, BCAT2, BCAT1 ESR1 1272/4885ESR2 1338/4885IDO1 1196/4885
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 ESR1 1272/4885ESR2 1338/4885IDO1 1196/4885
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 ESR1 1900/4885ESR2 2049/4885IDO1 395/4885

“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.