SCHEMBL8205964

SCHEMBL8205964

COOc1cc(NC2CCC(N)CC2)c(Cl)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 1/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA3 P07451 3/20 0.42
CA6 P23280 3/20 0.42
CA7 P43166 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
LRRK2 Q5S007 1/20 0.38
HSP90AA1 P07900 1/20 0.38
BTK Q06187 1/20 0.37
KIT P10721 2/20 0.37
FLT3 P36888 1/20 0.37
MELK Q14680 3/20 0.36
CA5A P35218 2/20 0.36
RIPK2 O43353 1/20 0.36
ERN1 O75460 1/20 0.36
STK10 O94804 1/20 0.36
MAP3K6 O95382 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL6153479 0.90 ROCK2 (0.52) ROCK2ROCK1CA1CA2CA3
SCHEMBL6153477 0.90 ROCK2 (0.52) ROCK2ROCK1CA1CA2CA3
SCHEMBL6153878 0.90 ROCK2 (0.52) ROCK2ROCK1CA1CA2CA3
SCHEMBL6154397 0.81 LRRK2 (0.49) ROCK2CA1CA2CA3CA6
SCHEMBL6154410 0.81 LRRK2 (0.49) ROCK2CA1CA2CA3CA6
SCHEMBL12316370 0.80 CA1 (0.51) CA1CA2CA3CA6CA7
SCHEMBL6154101 0.79 ROCK2 (0.80) ROCK2ROCK1CA1CA2CA3
SCHEMBL1584269 0.79 ROCK2 (0.80) ROCK2ROCK1CA1CA2CA3
SCHEMBL1584266 0.79 ROCK2 (0.80) ROCK2ROCK1CA1CA2CA3
SCHEMBL6153305 0.79 CA1 (0.47) CA1CA2CA3CA6CA7

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
EP-2046339-B1 RHO/ROCK/P13/AKT KINASE INHIBITORS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH PROTOZOAN PARASITES UNIV PARIS CURIE (FR) 2013-11-06 EP disclosed
US-20090203678-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PROTOZOAN PARASITIC DISEASES UNIVERSITE PIERRE ET MARIE CURIE-PARIS VI (FR) 2009-08-13 US disclosed
US-20090203678-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PROTOZOAN PARASITIC DISEASES UNIVERSITE PIERRE ET MARIE CURIE-PARIS VI (FR) 2009-08-13 US disclosed
EP-1891958-A1 Rho/Rock/PI3/Akt kinase inhibitors for the treatment of diseases associated with protozoan parasites. UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 2008-02-27 EP disclosed
WO-2008015001-A1 RHO/ROCK/P13/AKT KINASE INHIBITORS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH PROTOZOAN PARASITES UNIVERSITE PIERRE ET MARIE CURIE-PARIS VI (FR) 2008-02-07 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-20090203678-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PROTOZOAN PARASITIC DISEASES RHOA, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885CA1 3693/4885

“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.