SCHEMBL2293385

SCHEMBL2293385

NC1CCCC[C@@H]1NC(=O)c1nc(-c2cnn3cc(C(F)(F)F)ccc23)c(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
MARK3 P27448 5/20 0.41
CNR1 P21554 2/20 0.40
IRAK4 Q9NWZ3 11/20 0.39
SGK1 O00141 1/20 0.39
PIK3CD O00329 1/20 0.39
CHEK1 O14757 1/20 0.39
MAPK13 O15264 1/20 0.39
PDPK1 O15530 1/20 0.39
NUAK1 O60285 1/20 0.39
CCNT1 O60563 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
ERBB2 P04626 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 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
SCHEMBL2295778 1.00 HDAC4 (0.41) HDAC4MARK3CNR1IRAK4SGK1
SCHEMBL2292530 0.87 MARK3 (0.55) MARK3IRAK4SGK1CHEK1MAPK13
SCHEMBL12418254 0.84 MARK3 (0.47) MARK3CNR1IRAK4SGK1PIK3CD
SCHEMBL12418674 0.84 MARK3 (0.47) MARK3CNR1IRAK4SGK1PIK3CD
SCHEMBL2291630 0.82 MARK3 (0.47) MARK3IRAK4SGK1PIK3CDCHEK1
SCHEMBL2295856 0.77 IRAK4 (0.45) MARK3IRAK4SGK1CHEK1MAPK13
SCHEMBL12417983 0.76 MARK3 (0.57) MARK3IRAK4SGK1CHEK1MAPK13
SCHEMBL2295484 0.76 MARK3 (0.57) MARK3IRAK4SGK1CHEK1MAPK13
SCHEMBL2292506 0.75 MARK3 (0.56) MARK3IRAK4SGK1CHEK1MAPK13
SCHEMBL2293263 0.75 MARK3 (0.56) MARK3IRAK4SGK1CHEK1MAPK13

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 6 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 claimed
EP-2320737-B1 PYRAZOLO-[1,5-A]-PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME (US) 2013-07-17 EP claimed
US-20110195933-A1 PYRAZOLO[1,5-A]PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-11 US claimed
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 HDAC4 616/4885MARK3 1/4885CNR1 3616/4885

“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.