SCHEMBL12418265

SCHEMBL12418265

COc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)NCc4ccccc4)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.48
MARK3 P27448 6/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
MAPK1 P28482 3/20 0.41
EGFR P00533 2/20 0.41
SGK1 O00141 1/20 0.41
PIK3CD O00329 1/20 0.41
CHEK1 O14757 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
NUAK1 O60285 1/20 0.41

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
SCHEMBL12418680 0.92 MARK3 (0.54) MARK3ROCK2ROCK1MAPK1EGFR
SCHEMBL2288466 0.86 GAK (0.43) MARK3ALDH1A1ROCK2ROCK1MAPK1
SCHEMBL12379632 0.84 GAK (0.43) MARK3ALDH1A1JAK2JAK1TYK2
SCHEMBL2291469 0.83 MARK3 (0.59) MMP12MARK3ROCK2ROCK1MAPK1
SCHEMBL12379636 0.83 MARK3 (0.46) MMP12MARK3ROCK2ROCK1MAPK1
SCHEMBL12419199 0.79 MARK3 (0.59) MARK3ROCK2ROCK1MAPK1EGFR
SCHEMBL12379630 0.79 MARK3 (0.59) MARK3ROCK2ROCK1MAPK1EGFR
SCHEMBL1907482 0.78 RET (0.49) SMN1; SMN2ROCK2ROCK1MAPK1EGFR
SCHEMBL13509541 0.77 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL12379637 0.77 MARK3 (0.54) MARK3ROCK2ROCK1MAPK1EGFR

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-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 MMP12 4120/4885MARK3 1/4885HPGD 3290/4885

“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.