SCHEMBL1492271

SCHEMBL1492271

CCOC(=O)c1c(NC(=O)CC#N)cc(Cl)n1-c1ccc(-c2csc(C#N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.43
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNA7 P36544 3/20 0.35
CYP1A2 P05177 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.33
PGR P06401 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10007737 0.86 ABL1 (0.38) ABL1ALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL10008048 0.84 ABL1 (0.37) ABL1ALDH1A1KDM4EHSD17B10CHRNA7
SCHEMBL10008370 0.84 ABL1 (0.46) ABL1ALDH1A1KDM4ERAB9AMAPK8
SCHEMBL10007659 0.83 ABL1 (0.38) ABL1ALDH1A1KDM4EHSD17B10CHRNA7
SCHEMBL1492340 0.82 HSD17B10 (0.41) ABL1ALDH1A1KDM4EHSD17B10CHRNA7
SCHEMBL1492397 0.82 ALDH1A1 (0.41) ABL1ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL10007777 0.82 ABL1 (0.38) ABL1ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL10008122 0.82 ALDH1A1 (0.41) ABL1ALDH1A1KDM4EHSD17B10CHRNA7
SCHEMBL10007383 0.82 ABL1 (0.38) ABL1ALDH1A1KDM4EHSD17B10
SCHEMBL10007987 0.82 ALDH1A1 (0.39) ABL1ALDH1A1KDM4EHSD17B10CHRNA7

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 ABL1 994/4885ALDH1A1 1202/4885KDM4E 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.