SCHEMBL1492382

SCHEMBL1492382

CCOC(=O)c1c(NC(=O)Cc2ccccc2)ccn1-c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
MAPK10 P53779 2/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1492267 0.90 KMT2A (0.46) MAPK8MAPK9MAPK10KMT2AMEN1
SCHEMBL1492249 0.89 SMN1; SMN2 (0.47) MAPK8MAPK9MAPK10KMT2AMEN1
SCHEMBL1492301 0.87 KMT2A (0.43) MAPK8MAPK9MAPK10KMT2AMEN1
SCHEMBL1492261 0.84 TSHR (0.48) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL1492270 0.83 KMT2A (0.42) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL1492351 0.82 KDM4E (0.41) KMT2AHPGDPOLBMAPTNPSR1
Acetic Acid SCHEMBL2590588 0.79 KMT2A (0.41) KMT2AMEN1HPGDPOLBMAPT
SCHEMBL19644245 0.78 ALDH1A1 (0.52) KMT2AMEN1HPGDMAPTLMNA
SCHEMBL10007484 0.77 L3MBTL1 (0.42) MAPK8MAPK9MAPK10HPGDPOLB
SCHEMBL10008966 0.75 L3MBTL1 (0.48) KMT2AMEN1HPGDMAPTLMNA

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 MAPK8 458/4885MAPK9 440/4885MAPK10 344/4885

“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.