SCHEMBL2292739

SCHEMBL2292739

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.47
MARK3 P27448 8/20 0.47
ROCK2 O75116 2/20 0.47
SGK1 O00141 1/20 0.47
CHEK1 O14757 1/20 0.47
IKBKB O14920 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
NUAK1 O60285 1/20 0.47
CCNT1 O60563 1/20 0.47
JAK2 O60674 1/20 0.47
CHEK2 O96017 1/20 0.47
ABL1 P00519 1/20 0.47
RAF1 P04049 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
MET P08581 1/20 0.47
HCK P08631 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL12418377 1.00 IRAK4 (0.47) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL12379338 1.00 IRAK4 (0.47) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL2295856 0.90 IRAK4 (0.45) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL2295484 0.89 MARK3 (0.57) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL2291268 0.89 MARK3 (0.53) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL12419196 0.89 MARK3 (0.53) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL12417983 0.89 MARK3 (0.57) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL12379683 0.88 MARK3 (0.55) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL2293452 0.87 MARK3 (0.47) IRAK4MARK3ROCK2SGK1CHEK1
SCHEMBL2355069 0.87 MARK3 (0.47) IRAK4MARK3ROCK2SGK1CHEK1

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 7 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
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 IRAK4 975/4885MARK3 1/4885ROCK2 373/4885

“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.