SCHEMBL1492326

SCHEMBL1492326

CCOC(=O)c1c(NC(=O)CC#N)cc(Cl)n1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.38
UCHL1 P09936 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.35
ABL1 P00519 2/20 0.34
MAPK1 P28482 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 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
SCHEMBL1492340 0.83 HSD17B10 (0.41) ALDH1A1HSD17B10KDM4EMAPTABL1
SCHEMBL1492397 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EMAPTABL1
SCHEMBL1492324 0.83 HIF1A (0.38) HIF1AUCHL1ALDH1A1HSD17B10KDM4E
SCHEMBL12496041 0.80 UCHL1 (0.43) UCHL1ALDH1A1HSD17B10MAPTMAPK1
SCHEMBL10008415 0.78 MMP2 (0.42) ALDH1A1HSD17B10KDM4EMAPTMAPK1
SCHEMBL10007777 0.78 ABL1 (0.38) ALDH1A1HSD17B10KDM4EMAPTABL1
SCHEMBL10008122 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EMAPTABL1
SCHEMBL10007737 0.78 ABL1 (0.38) ALDH1A1HSD17B10KDM4EMAPTABL1
SCHEMBL10007659 0.77 ABL1 (0.38) ALDH1A1HSD17B10KDM4EMAPTABL1
SCHEMBL10008312 0.77 TP53 (0.37) ALDH1A1HSD17B10KDM4EMAPTABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475660-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GlaxoSmithKline LLC (US) 2012-07-18 EP disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
WO-2011029855-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-03-17 WO disclosed
WO-2011029855-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-03-17 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 (1 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-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK PRKAB1, PRKAG1, PRKAB2 HIF1A 961/4885UCHL1 4474/4885ALDH1A1 1202/4885

“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.