SCHEMBL12379636

SCHEMBL12379636

COc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 3/20 0.46
MMP12 P39900 2/20 0.45
MMP13 P45452 2/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
MAPK1 P28482 5/20 0.43
DHPS P49366 1/20 0.42
AKT1 P31749 3/20 0.42
PDE2A O00408 1/20 0.41
ADORA2A P29274 1/20 0.40
KIT P10721 1/20 0.40
ULK1 O75385 1/20 0.40
ULK2 Q8IYT8 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
STK17A Q9UEE5 1/20 0.40
MAPK13 O15264 1/20 0.39
RPS6KA5 O75582 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
SCHEMBL12379637 0.94 MARK3 (0.54) MARK3ROCK2ROCK1MAPK1AKT1
SCHEMBL12379632 0.83 GAK (0.43) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL2288466 0.83 GAK (0.43) MARK3ROCK2ROCK1MAPK1KIT
SCHEMBL12418265 0.83 MMP12 (0.48) MARK3MMP12ROCK2ROCK1MAPK1
SCHEMBL2291469 0.80 MARK3 (0.59) MARK3MMP12MMP13MMP8ROCK2
SCHEMBL12379630 0.78 MARK3 (0.59) MARK3ROCK2ROCK1MAPK1AKT1
SCHEMBL12419199 0.78 MARK3 (0.59) MARK3ROCK2ROCK1MAPK1AKT1
SCHEMBL12418680 0.78 MARK3 (0.54) MARK3ROCK2ROCK1MAPK1AKT1
SCHEMBL2288882 0.73 MARK3 (0.49) MARK3ROCK2ROCK1MAPK1AKT1
SCHEMBL12461135 0.70 KDR (0.62) MARK3MAPK1MKNK2MAP4K4CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518911-B2 Pyrazolo[1,5-a]pyridines as MARK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518911-B2 Pyrazolo[1,5-a]pyridines as MARK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
EP-2320737-B1 PYRAZOLO-[1,5-A]-PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-20110195933-A1 PYRAZOLO[1,5-A]PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-11 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-20110195933-A1 PYRAZOLO[1,5-A]PYRIDINES AS MARK INHIBITORS MARK3, MARK4, MARK1 MARK3 1/4885MMP12 4120/4885MMP13 3914/4885

“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.