SCHEMBL2176952

SCHEMBL2176952

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

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.75
ROCK1 Q13464 1/20 0.75
BTK Q06187 2/20 0.46
KIT P10721 2/20 0.45
FLT3 P36888 2/20 0.45
FER P16591 1/20 0.42
SYK P43405 4/20 0.41
MAPK8 P45983 1/20 0.41
CHEK1 O14757 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
PTPN11 Q06124 1/20 0.40

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
SCHEMBL2176955 1.00 ROCK2 (0.75) ROCK2ROCK1BTKKITFLT3
SCHEMBL3630689 0.88 ROCK2 (0.59) ROCK2ROCK1FERSYKMAPK8
SCHEMBL3630683 0.88 ROCK2 (0.59) ROCK2ROCK1FERSYKMAPK8
SCHEMBL1936989 0.87 ROCK2 (0.58) ROCK2ROCK1BTKKITFLT3
SCHEMBL1936988 0.87 ROCK2 (0.58) ROCK2ROCK1BTKKITFLT3
SCHEMBL1937648 0.87 ROCK2 (0.77) ROCK2ROCK1BTKKITFLT3
SCHEMBL1937650 0.87 ROCK2 (0.77) ROCK2ROCK1BTKKITFLT3
SCHEMBL1935856 0.86 ROCK2 (1.00) ROCK2ROCK1BTKKITFLT3
SCHEMBL1935855 0.86 ROCK2 (1.00) ROCK2ROCK1BTKKITFLT3
SCHEMBL1937735 0.86 ROCK2 (0.75) ROCK2ROCK1BTKKITFLT3

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 3 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

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 1/4885BTK 500/4885

“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.