SCHEMBL1492324

SCHEMBL1492324

CCOC(=O)c1c(NC(=O)CC#N)ccn1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.38
UCHL1 P09936 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
BDKRB1 P46663 1/20 0.34
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1492370 0.84 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL1492326 0.83 HIF1A (0.38) HIF1AUCHL1KDM4EALDH1A1HSD17B10
SCHEMBL1492351 0.82 KDM4E (0.41) KDM4EALDH1A1HSD17B10MAPTCA9
SCHEMBL1492389 0.81 KDM4E (0.43) KDM4EALDH1A1HSD17B10MAPTPOLB
SCHEMBL1492360 0.78 UCHL1 (0.42) UCHL1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL1492375 0.78 KDM4E (0.38) HIF1AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3686298 0.70 CA1 (0.53) UCHL1ALDH1A1RECQLCA1CA2
SCHEMBL1492261 0.69 TSHR (0.48) ALDH1A1MAPTHTTPOLBHPGD
SCHEMBL1492331 0.68 HPGD (0.50) ALDH1A1MAPTRECQLCA1CA2
SCHEMBL1492301 0.68 KMT2A (0.43) KDM4EALDH1A1HSD17B10MAPTRECQL

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 4474/4885KDM4E 1540/4885

“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.