SCHEMBL1492370

SCHEMBL1492370

CCOC(=O)c1ccc(-n2ccc(NC(=O)CC#N)c2C(=O)OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HTT P42858 3/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL1492351 0.91 KDM4E (0.41) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL1492389 0.90 KDM4E (0.43) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL1492375 0.84 KDM4E (0.38) ALDH1A1HTTHPGDNPSR1KDM4E
SCHEMBL1492324 0.84 HIF1A (0.38) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL1492331 0.83 HPGD (0.50) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL8621946 0.78 TSHR (0.67) ALDH1A1MAPK1KDM4ETSHRRAB9A
SCHEMBL1492346 0.77 KMT2A (0.45) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL1492261 0.76 TSHR (0.48) ALDH1A1HTTHPGDTDP1TSHR
SCHEMBL1492301 0.75 KMT2A (0.43) ALDH1A1HTTHPGDNPSR1TDP1
SCHEMBL18956079 0.74 GABRA2 (0.47) ALDH1A1NPSR1MAPK1KDM4ERAB9A

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 ALDH1A1 1202/4885HTT 2074/4885HPGD 499/4885

“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.