SCHEMBL1372166

SCHEMBL1372166

O=C(O)c1sccc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.47
LMNA P02545 1/20 0.47
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ABCC1 P33527 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR35 Q9HC97 1/20 0.40
PTPRC P08575 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL3783766 0.83 PRNP (0.39) AXLLMNANPSR1KMT2ARAB9A
SCHEMBL26054505 0.78 LMNA (0.40) AXLLMNANPSR1KMT2ARAB9A
SCHEMBL16866359 0.78 KMT2A (0.53) LMNANPSR1KMT2AMEN1NPC1
SCHEMBL16429551 0.74 ALDH1A1 (0.48) NPSR1KMT2ARAB9AMEN1NPC1
SCHEMBL8297325 0.74 HPGD (0.39) LMNANPSR1KMT2ARAB9AMEN1
SCHEMBL159280 0.73
SCHEMBL10862218 0.71 GSK3B (0.57) AXLLMNAPTPN2PTPN1ABCC1
Hydrochloric Acid SCHEMBL3044528 0.71 GSK3B (0.57) AXLLMNAPTPN2PTPN1ABCC1
SCHEMBL69159 0.70 ALDH1A1 (0.58) AXLLMNAPTPN2PTPN1ABCC1
SCHEMBL1162100 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8927569-B2 Macrocyclic compounds as antiviral agents MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
EP-2178902-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2012-11-28 EP disclosed
CN-102753552-A Novel pyrrolopyridine benzoate derivatives FOURNIER LAB SA 2012-10-24 CN disclosed
CN-102596906-A Use of indole derivatives as NURR-1 activators as agents for the treatment of Parkinson's disease FOURNIER LAB SA 2012-07-18 CN disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
US-20100183551-A1 Macrocyclic Compounds As Antiviral Agents MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
EP-2178902-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
WO-2009010804-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-01-22 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 (3 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 AXL 378/4885LMNA 4871/4885PTPN2 20/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 AXL 378/4885LMNA 4871/4885PTPN2 20/4885
US-20100183551-A1 Macrocyclic Compounds As Antiviral Agents ZC3HAV1, RNASE1, RRP1B AXL 3705/4885LMNA 1699/4885PTPN2 3059/4885

“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.