SCHEMBL1492267

SCHEMBL1492267

CCOC(=O)c1c(NC(=O)Cc2ccc(F)cc2)ccn1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ENPP2 Q13822 1/20 0.44
MAPK1 P28482 1/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 2/20 0.41
EGFR P00533 2/20 0.41
ERBB2 P04626 2/20 0.41
GABRA2 P47869 1/20 0.40

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
SCHEMBL1492382 0.90 MAPK8 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1CASP3
SCHEMBL1492249 0.89 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1CASP3
SCHEMBL1492301 0.87 KMT2A (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1492261 0.83 TSHR (0.48) KMT2AMEN1ALDH1A1CASP3HPGD
SCHEMBL1492270 0.81 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1492351 0.80 KDM4E (0.41) KMT2AALDH1A1KDM4ECASP3HPGD
SCHEMBL10007484 0.78 L3MBTL1 (0.42) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD
Acetic Acid SCHEMBL2590588 0.78 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10008966 0.73 L3MBTL1 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10008582 0.73 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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 KMT2A 2761/4885MEN1 4029/4885SMN1; 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.