SCHEMBL1938207

SCHEMBL1938207

COc1nc(N[C@H]2CC[C@H](N(C)C)CC2)c(F)cc1C(N)=O

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.78
ROCK1 Q13464 1/20 0.78
IRAK4 Q9NWZ3 7/20 0.44
SYK P43405 8/20 0.42
MAPK8 P45983 2/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK9 P45984 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
SCHEMBL1938209 1.00 ROCK2 (0.78) ROCK2ROCK1IRAK4SYKMAPK8
SCHEMBL3622725 0.90 ROCK2 (0.73) ROCK2ROCK1IRAK4SYKMAPK8
SCHEMBL1935855 0.87 ROCK2 (1.00) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL1935856 0.87 ROCK2 (1.00) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL12489141 0.87 ROCK2 (0.83) ROCK2ROCK1SYKMAPK8KIT
Hydrochloric Acid SCHEMBL1937616 0.86 ROCK2 (0.98) ROCK2ROCK1SYKMAPK8KIT
Hydrochloric Acid SCHEMBL1937617 0.86 ROCK2 (0.98) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL1937784 0.86 ROCK2 (0.69) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL1937783 0.86 ROCK2 (0.69) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL3627381 0.85 ROCK2 (0.79) ROCK2ROCK1SYKMAPK8KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885IRAK4 1074/4885

“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.