SCHEMBL1492266

SCHEMBL1492266

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 5/20 0.40
HTT P42858 4/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 3/20 0.37
HSP90AA1 P07900 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10007482 0.88 HSD17B10 (0.42) HPGDHTTALDH1A1MAPTGAA
SCHEMBL1492350 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AHPGDHTTALDH1A1
SCHEMBL10007729 0.74 CHEK2 (0.37) KMT2AHPGDHTTALDH1A1MAPT
SCHEMBL1492311 0.73 KMT2A (0.42) SMN1; SMN2KMT2AHPGDHTTALDH1A1
SCHEMBL1492272 0.72 ALDH1A1 (0.52) SMN1; SMN2KMT2AHPGDHTTALDH1A1
SCHEMBL15004788 0.71 ALDH1A1 (0.73) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL9041578 0.70 HPGD (0.57) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL10008377 0.70 MAPT (0.42) SMN1; SMN2HTTMAPTGAALMNA
SCHEMBL9041675 0.69 HPGD (0.52) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL1492252 0.69 MAPK8 (0.50) SMN1; SMN2KMT2AHPGDALDH1A1MAPT

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 SMN1; SMN2 4359/4885KMT2A 2761/4885HPGD 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.