SCHEMBL1492301

SCHEMBL1492301

CCOC(=O)c1c(NC(=O)Cc2ccc(C#N)cc2)ccn1-c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.43
ATM Q13315 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 3/20 0.41
MAPK8 P45983 3/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 0.87 KMT2A (0.46) KMT2ALMNASMN1; SMN2HPGDCASP3
SCHEMBL1492382 0.87 MAPK8 (0.51) KMT2ALMNASMN1; SMN2HPGDCASP3
SCHEMBL1492249 0.86 SMN1; SMN2 (0.47) KMT2ALMNASMN1; SMN2HPGDCASP3
SCHEMBL1492351 0.84 KDM4E (0.41) KMT2AHPGDCASP3ATMPOLB
SCHEMBL1492261 0.80 TSHR (0.48) KMT2AHPGDCASP3POLBMAPT
SCHEMBL1492270 0.79 KMT2A (0.42) KMT2ALMNASMN1; SMN2HPGDCASP3
Acetic Acid SCHEMBL2590588 0.75 KMT2A (0.41) KMT2ALMNASMN1; SMN2HPGDCASP3
SCHEMBL1492370 0.75 ALDH1A1 (0.45) KMT2ALMNAHPGDTDP1MEN1
SCHEMBL10008377 0.74 MAPT (0.42) LMNASMN1; SMN2L3MBTL1POLBMAPK8
SCHEMBL1492389 0.73 KDM4E (0.43) KMT2ALMNASMN1; SMN2HPGDL3MBTL1

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 5 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
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 KMT2A 2761/4885LMNA 4305/4885SMN1; SMN2 4359/4885

“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.