SCHEMBL170340

SCHEMBL170340

N#CCC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.59
WNT3A P56704 8/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 1/20 0.57
MAOB P27338 3/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK9 P45984 1/20 0.52
SRD5A2 P31213 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL6440716 0.90 ATM (0.64) CTNNB1WNT3AALDH1A1NPC1RAB9A
SCHEMBL2237626 0.81 MEN1 (0.76) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL29458253 0.81 MEN1 (0.76) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL6486626 0.80 CTNNB1 (0.66) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL4865452 0.80 CTNNB1 (0.66) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL2601929 0.79 ALDH1A1 (0.74) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL4258312 0.78 CTNNB1 (0.64) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL13785040 0.78 CTNNB1 (0.64) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL7253369 0.78 CTNNB1 (0.64) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL1092123 0.78 ATM (0.81) CTNNB1WNT3AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
US-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
WO-2021067967-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2021-04-08 WO disclosed
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS CAL POLY CORPORATION 2021-04-08 US disclosed
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
EP-2362876-B1 THIENOTRIAZOLODIAZEPINE DERIVATIVES ACTIVE ON APO A CIRCOMED LLC (US) 2013-12-11 EP disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
US-20110230460-A1 THIENOTRIAZOLODIAZEPINE DERIVATIVES ACTIVE ON APO A CIRCOMED LLC (US) 2011-09-22 US disclosed
EP-2362876-A1 THIENOTRIAZOLODIAZEPINE DERIVATIVES ACTIVE ON APO A Circomed LLC (US) 2011-09-07 EP disclosed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO disclosed
WO-2010049466-A1 THIENOTRIAZOLODIAZEPINE DERIVATIVES ACTIVE ON APO A DYBLY AG (CH) 2010-05-06 WO disclosed
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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 (8 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-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 CTNNB1 2844/4885WNT3A 4294/4885MEN1 3704/4885
US-20110230460-A1 THIENOTRIAZOLODIAZEPINE DERIVATIVES ACTIVE ON APO A APOB, APOL1, NR1H2 CTNNB1 1908/4885WNT3A 2021/4885MEN1 2158/4885
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 CTNNB1 428/4885WNT3A 1171/4885MEN1 4860/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS CTNNB1 3788/4885WNT3A 3648/4885MEN1 4548/4885
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS PNPO, NOX3, G6PD CTNNB1 4109/4885WNT3A 3430/4885MEN1 2655/4885
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD CTNNB1 4109/4885WNT3A 3430/4885MEN1 2655/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS CTNNB1 3788/4885WNT3A 3648/4885MEN1 4548/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 CTNNB1 2735/4885WNT3A 4313/4885MEN1 3181/4885

“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.