SCHEMBL1492286

SCHEMBL1492286

CCOC(=O)c1c(N)cc(C#N)n1-c1ccc(-c2ccsc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.46
MAPT P10636 5/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
ALOX12 P18054 1/20 0.41
P2RX3 P56373 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1492292 0.86 CHEK2 (0.50) CHEK2MAPTHSD17B10MEN1USP2
SCHEMBL1492352 0.85 CHEK2 (0.49) CHEK2MAPTHSD17B10MEN1USP2
SCHEMBL10007729 0.82 CHEK2 (0.37) CHEK2MAPTHSD17B10MEN1USP2
SCHEMBL10008128 0.74 CHEK2 (0.38) CHEK2MAPTHSD17B10MEN1USP2
SCHEMBL10007737 0.72 ABL1 (0.38) CHEK2MAPTHSD17B10MEN1USP2
SCHEMBL6705545 0.72 MAPT (0.55) CHEK2MAPTHSD17B10MEN1USP2
SCHEMBL13611768 0.72 HRH2 (0.41) CHEK2MAPTHSD17B10MEN1USP2
SCHEMBL10008633 0.71 ALDH1A1 (0.48) MAPTHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL10009067 0.71 MAPK8 (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8289358 0.70 GRIA2 (0.58) CDC7DBF4

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 CHEK2 463/4885MAPT 1823/4885HSD17B10 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.