SCHEMBL1531500

SCHEMBL1531500

NC(=O)CNc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.62
GAA P10253 3/20 0.62
CA12 O43570 2/20 0.56
CA4 P22748 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA3 P07451 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 7/20 0.52
NPC1 O15118 3/20 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
Hydrochloric Acid SCHEMBL4837088 0.84 PARP1 (0.58) KDM4EGAACA12CA4CA7
SCHEMBL412396 0.84 PARP1 (0.58) KDM4EGAACA12CA4CA7
SCHEMBL29527726 0.84 PARP1 (0.58) KDM4EGAACA12CA4CA7
SCHEMBL11879716 0.83 CA12 (0.62) KDM4EGAACA12CA4CA7
SCHEMBL21980928 0.83 KDM4E (0.57) KDM4EGAACA12CA4CA7
SCHEMBL11054412 0.82 CA12 (0.55) KDM4EGAACA12CA4CA7
SCHEMBL13442314 0.81 CDC25B (0.47) GAAALDH1A1GSK3B
SCHEMBL1154304 0.79 CYP1A2 (0.61) KDM4EGAACA12CA4CA7
SCHEMBL6750378 0.79 ALDH1A1 (0.65) KDM4EGAACA12CA4CA7
Hydrochloric Acid SCHEMBL808814 0.78 CYP1A2 (0.60) KDM4EGAACA12CA4CA7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205648-A Curable composition, cured product, microlens, and optical element 东京应化工业株式会社 2020-05-29 CN disclosed
EP-3189070-A1 NOVEL COMPOUNDS AND METHODS OF TREATING OR AMELIORATING AN IL-1R-MEDIATED DISEASE OR DISORDER USING SAME Drexel University (US) 2017-07-12 EP disclosed
WO-2016022465-A1 NOVEL COMPOUNDS AND METHODS OF TREATING OR AMELIORATING AN IL-1R-MEDIATED DISEASE OR DISORDER USING SAME DREXEL UNIVERSITY (US) 2016-02-11 WO disclosed
WO-2011029043-A1 HETEROARYL BTK INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB KDM4E 2422/4885GAA 80/4885CA12 2211/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB KDM4E 2422/4885GAA 80/4885CA12 2211/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB KDM4E 2422/4885GAA 80/4885CA12 2211/4885

“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.