SCHEMBL10007482

SCHEMBL10007482

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HTT P42858 3/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
NLRP3 Q96P20 1/20 0.35
ABL1 P00519 1/20 0.35
BDKRB1 P46663 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1492266 0.88 SMN1; SMN2 (0.41) ALDH1A1KDM4EHTTHPGDGAA
SCHEMBL10007729 0.85 CHEK2 (0.37) HSD17B10ALDH1A1KDM4EHTTHPGD
SCHEMBL1492340 0.78 HSD17B10 (0.41) HSD17B10ALDH1A1KDM4EHTTHPGD
SCHEMBL1492397 0.78 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4EHTTHPGD
SCHEMBL10007777 0.75 ABL1 (0.38) HSD17B10ALDH1A1KDM4EHTTHPGD
SCHEMBL10008128 0.75 CHEK2 (0.38) HSD17B10ALDH1A1KDM4EHTTHPGD
SCHEMBL10007987 0.75 ALDH1A1 (0.39) HSD17B10ALDH1A1KDM4EHTTHPGD
SCHEMBL1492271 0.74 ABL1 (0.43) HSD17B10ALDH1A1KDM4EMAPK8MAPK9
SCHEMBL10008048 0.74 ABL1 (0.37) HSD17B10ALDH1A1KDM4EGAAABL1
SCHEMBL10007737 0.73 ABL1 (0.38) HSD17B10ALDH1A1KDM4EMAPTCYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US 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.