SCHEMBL1492270

SCHEMBL1492270

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 7/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.41
NHERF1 O14745 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Acetic Acid SCHEMBL2590588 0.95 KMT2A (0.41) KMT2AMAPTMEN1KDM4ECASP3
SCHEMBL1492331 0.90 HPGD (0.50) KMT2AMAPTMEN1CASP3SMN1; SMN2
SCHEMBL1492346 0.89 KMT2A (0.45) KMT2AMAPTKDM4ESMN1; SMN2HPGD
SCHEMBL18956079 0.88 GABRA2 (0.47) KMT2AMAPTMEN1KDM4ETHRB
SCHEMBL19644245 0.87 ALDH1A1 (0.52) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL1492261 0.87 TSHR (0.48) KMT2AMAPTMEN1CASP3NHERF1
SCHEMBL1492335 0.86 ALDH1A1 (0.52) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL1492351 0.84 KDM4E (0.41) KMT2AMAPTKDM4ECASP3NHERF1
SCHEMBL1492382 0.83 MAPK8 (0.51) KMT2AMAPTMEN1CASP3SMN1; SMN2
SCHEMBL1492267 0.81 KMT2A (0.46) KMT2AMAPTMEN1KDM4ECASP3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566868-A1 PYRROLO [3, 2 -D]PYRIMIDIN-3 -YL DERIVATIVES USED AS ACTIVATORS OF AMPK GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053407-A1 PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2013-02-28 US disclosed
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-2011138307-A1 PYRROLO [3, 2 -D] PYRIMIDIN-3 -YL DERIVATIVES USED AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-11-10 WO 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 (2 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 KMT2A 2761/4885MAPT 1823/4885MEN1 4029/4885
US-20130053407-A1 PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK PRKAG2, PRKAB2, PRKAG3 KMT2A 2783/4885MAPT 2392/4885MEN1 3540/4885

“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.