SCHEMBL6440716

SCHEMBL6440716

N#CCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
TSHR P16473 2/20 0.60
HPGD P15428 1/20 0.60
PKM P14618 1/20 0.60
CTNNB1 P35222 11/20 0.59
WNT3A P56704 7/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
KLF5 Q13887 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL170340 0.90 CTNNB1 (0.59) ATMHPGDCTNNB1WNT3ANPC1
SCHEMBL653025 0.81 PKM (0.87) ATMTSHRHPGDPKMCTNNB1
SCHEMBL14408074 0.80 ALDH1A1 (0.59) ATMTSHRHPGDPKMCTNNB1
SCHEMBL1535157 0.80 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL4831672 0.80 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL13785039 0.78 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL627847 0.78 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL7791783 0.78 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL5370469 0.78 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL5808134 0.78 ATM (0.70) ATMTSHRHPGDPKMCTNNB1

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 9 patents. 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
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-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
CN-1438890-A Adenosine receptor modulators HOFFMANNLA ROCHE AG F (CH) 2003-08-27 CN 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 (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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 ATM 3141/4885TSHR 435/4885HPGD 915/4885
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS PNPO, NOX3, G6PD ATM 3708/4885TSHR 3974/4885HPGD 1896/4885
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD ATM 3708/4885TSHR 3974/4885HPGD 1896/4885

“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.