SCHEMBL1492340

SCHEMBL1492340

CCOC(=O)c1c(NC(=O)CC#N)cc(Cl)n1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.40
ATM Q13315 1/20 0.40
CHRNA7 P36544 1/20 0.39
ABL1 P00519 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1492397 0.90 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4EMAPTABL1
SCHEMBL1492311 0.85 KMT2A (0.42) HSD17B10ALDH1A1KDM4EMAPTATM
SCHEMBL10008122 0.84 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4EMAPTCHRNA7
SCHEMBL10007777 0.84 ABL1 (0.38) HSD17B10ALDH1A1KDM4EMAPTABL1
SCHEMBL10007737 0.84 ABL1 (0.38) HSD17B10ALDH1A1KDM4EMAPTABL1
SCHEMBL2592876 0.84 MAPT (0.43) HSD17B10ALDH1A1KDM4EMAPTATM
SCHEMBL10007383 0.84 ABL1 (0.38) HSD17B10ALDH1A1KDM4EABL1HTT
SCHEMBL10007987 0.83 ALDH1A1 (0.39) HSD17B10ALDH1A1KDM4EMAPTCHRNA7
SCHEMBL10008312 0.83 TP53 (0.37) HSD17B10ALDH1A1KDM4EMAPTCHRNA7
SCHEMBL10007659 0.83 ABL1 (0.38) HSD17B10ALDH1A1KDM4EMAPTCHRNA7

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 HSD17B10 1997/4885ALDH1A1 1202/4885KDM4E 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.