SCHEMBL12418680

SCHEMBL12418680

COc1cc(-c2cnn(C)c2)cn2ncc(-c3csc(C(=O)NCc4ccccc4)c3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 14/20 0.54
KIT P10721 3/20 0.51
MAPK1 P28482 3/20 0.51
SGK1 O00141 2/20 0.51
PIK3CD O00329 2/20 0.51
CHEK1 O14757 2/20 0.51
MAPK13 O15264 2/20 0.51
PDPK1 O15530 2/20 0.51
NUAK1 O60285 2/20 0.51
CCNT1 O60563 2/20 0.51
JAK2 O60674 2/20 0.51
ROCK2 O75116 2/20 0.51
CHEK2 O96017 2/20 0.51
EGFR P00533 2/20 0.51
RAF1 P04049 2/20 0.51
NTRK1 P04629 2/20 0.51
LCK P06239 2/20 0.51
CSF1R P07333 2/20 0.51
MET P08581 2/20 0.51
HCK P08631 2/20 0.51

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
SCHEMBL12418265 0.92 MMP12 (0.48) MARK3KITMAPK1SGK1PIK3CD
SCHEMBL1907482 0.86 RET (0.49) KITMAPK1ROCK2EGFRROCK1
SCHEMBL12379637 0.85 MARK3 (0.54) MARK3KITMAPK1SGK1PIK3CD
SCHEMBL2288882 0.81 MARK3 (0.49) MARK3KITMAPK1SGK1PIK3CD
SCHEMBL1907066 0.80 KIT (0.46) KITRETCLK1
SCHEMBL2288466 0.78 GAK (0.43) MARK3KITMAPK1SGK1PIK3CD
SCHEMBL12379636 0.78 MARK3 (0.46) MARK3KITMAPK1MAPK13ROCK2
SCHEMBL12379632 0.77 GAK (0.43) MARK3JAK2JAK1TYK2KDR
SCHEMBL2291469 0.76 MARK3 (0.59) MARK3KITMAPK1SGK1PIK3CD
SCHEMBL3756835 0.76 MARK3 (0.74) MARK3KITMAPK1SGK1PIK3CD

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 MARK3 1/4885KIT 2375/4885MAPK1 60/4885

“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.