SCHEMBL1492375

SCHEMBL1492375

CCOC(=O)c1c(NC(=O)CC#N)ccn1-c1ccc(-c2ccco2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
BDKRB1 P46663 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA2B P29275 2/20 0.36
HPGD P15428 3/20 0.36
PKM P14618 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL1492370 0.84 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10KMT2ATSHR
SCHEMBL1492351 0.82 KDM4E (0.41) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL1492389 0.81 KDM4E (0.43) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL1492408 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL1492324 0.78 HIF1A (0.38) KDM4EALDH1A1HSD17B10POLBBDKRB1
SCHEMBL1492261 0.69 TSHR (0.48) ALDH1A1POLBKMT2ATSHRMEN1
SCHEMBL19644245 0.68 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10KMT2ATSHR
SCHEMBL1492331 0.68 HPGD (0.50) ALDH1A1POLBKMT2ATSHRMEN1
SCHEMBL1492301 0.68 KMT2A (0.43) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL1492346 0.68 KMT2A (0.45) KDM4EALDH1A1HSD17B10POLBKMT2A

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 3 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
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 KDM4E 1540/4885ALDH1A1 1202/4885HSD17B10 1997/4885

“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.