SCHEMBL1492389

SCHEMBL1492389

CCOC(=O)c1c(NC(=O)CC#N)ccn1-c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 3/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
MAPT P10636 7/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1492370 0.90 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL1492351 0.88 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1492335 0.84 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1492375 0.81 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1492324 0.81 HIF1A (0.38) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1492249 0.81 SMN1; SMN2 (0.47) ALDH1A1HPGDMAPK8MAPK9MAPK10
SCHEMBL10008966 0.79 L3MBTL1 (0.48) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL10007484 0.77 L3MBTL1 (0.42) KDM4EALDH1A1HPGDMAPK8MAPK9
SCHEMBL1492332 0.74 SMN1; SMN2 (0.52) KDM4EALDH1A1HSD17B10HPGDMAPK10
SCHEMBL1492261 0.73 TSHR (0.48) ALDH1A1HPGDMAPTKMT2AGAA

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 KDM4E 1540/4885ALDH1A1 1202/4885HSD17B10 1997/4885

“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.