SCHEMBL1492363

SCHEMBL1492363

CCOC(=O)c1c(N)ccn1-c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 2/20 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
Hydrochloric Acid SCHEMBL1492383 0.99 CASP3 (0.46) CASP3MAPTKDM4ECYP1A2SMN1; SMN2
SCHEMBL1492230 0.89 LMNA (0.57) MAPTKDM4ECYP1A2SMN1; SMN2NPC1
SCHEMBL18955943 0.86 GABRA2 (0.51) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL19643804 0.86 ALDH1A1 (0.57) MAPTKDM4ECYP1A2MEN1KMT2A
SCHEMBL1492332 0.85 SMN1; SMN2 (0.52) CASP3MAPTKDM4ECYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL1492314 0.84 SMN1; SMN2 (0.51) CASP3MAPTKDM4ECYP1A2SMN1; SMN2
SCHEMBL1492270 0.79 KMT2A (0.42) CASP3MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL1492360 0.78 UCHL1 (0.42) MAPTKDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL1492408 0.78 ALDH1A1 (0.46) MAPTKDM4ECYP1A2SMN1; SMN2MEN1
SCHEMBL19661208 0.77 NPC1 (0.48) MAPTKDM4ESMN1; SMN2MEN1NPC1

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 CASP3 2931/4885MAPT 1823/4885KDM4E 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.