SCHEMBL1492261

SCHEMBL1492261

CCOC(=O)CC(=O)Nc1ccn(-c2ccc(Br)cc2)c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
PKM P14618 2/20 0.41
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
CASP3 P42574 1/20 0.39
NHERF1 O14745 1/20 0.38
BRD4 O60885 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1492270 0.87 KMT2A (0.42) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL1492351 0.85 KDM4E (0.41) KMT2AHPGDMAPTALDH1A1CASP3
SCHEMBL1492382 0.84 MAPK8 (0.51) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL1492267 0.83 KMT2A (0.46) KMT2AHPGDMEN1MAPTALDH1A1
Acetic Acid SCHEMBL2590588 0.83 KMT2A (0.41) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL1492249 0.82 SMN1; SMN2 (0.47) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL1492301 0.80 KMT2A (0.43) TSHRKMT2AHPGDMEN1MAPT
SCHEMBL1492331 0.77 HPGD (0.50) TSHRKMT2AHPGDMEN1MAPT
SCHEMBL1492363 0.76 CASP3 (0.47) TSHRKMT2AHPGDMEN1MAPT
SCHEMBL1492370 0.76 ALDH1A1 (0.45) TSHRKMT2AHPGDMEN1ALDH1A1

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 TSHR 2257/4885KMT2A 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.