SCHEMBL16229869

SCHEMBL16229869

OB(O)c1ccc(N=C(c2ccccc2)c2ccccc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
ENPP2 Q13822 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
MGLL Q99685 2/20 0.37
P4HB P07237 1/20 0.34
ADRA2A P08913 9/20 0.33
ADRA2B P18089 9/20 0.33
ADRA2C P18825 9/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PLAU P00749 3/20 0.32

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 0.76 KMT2A (0.40) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL16229870 0.76 ADRA2A (0.58) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL16229860 0.73 ESR2 (0.52) CA4CA6CA5ACA7ENPP2
SCHEMBL29739463 0.72 MAPT (0.37) ADRA2AADRA2BADRA2CPLAU
SCHEMBL2729935 0.71 ADRA2A (0.59) ADRA2AADRA2BADRA2CPLAU
SCHEMBL24068036 0.70 RAB9A (0.36) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL31507859 0.70 CYP19A1 (0.34) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL30339156 0.70 RAB9A (0.36) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL21355585 0.69 KMT2A (0.43) ADRA2AADRA2BADRA2CESR2
SCHEMBL31508095 0.69 ABL1 (0.33) ADRA2AADRA2BADRA2CESR1ESR2

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 CA4 1326/4885CA6 213/4885CA5A 2459/4885
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 CA4 1463/4885CA6 301/4885CA5A 1805/4885

“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.