SCHEMBL4780102

SCHEMBL4780102

CN(CC(=O)OC(C)(C)C)Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.40
ROCK2 O75116 10/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
TSHR P16473 1/20 0.39
SLC2A1 P11166 1/20 0.39
AURKA O14965 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MARK3 P27448 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL4726577 0.92 ENPP2 (0.41) ROCK1ROCK2KDM4EGAAALOX12
SCHEMBL4725275 0.87 TSHR (0.40) ROCK1ROCK2KDM4EGAAALOX12
SCHEMBL4725225 0.87 SLC2A1 (0.43) ROCK1ROCK2KDM4EGAAALOX12
Hydrochloric Acid SCHEMBL4726458 0.86 SLC2A1 (0.43) ROCK1ROCK2KDM4EGAAALOX12
SCHEMBL4726467 0.84 ROCK1 (0.47) ROCK1ROCK2TSHRAURKADYRK3
SCHEMBL4777144 0.83 ROCK1 (0.43) ROCK1ROCK2TSHRSLC2A1AURKA
SCHEMBL4728299 0.83 ROCK1 (0.44) ROCK1ROCK2TSHRAURKADYRK3
SCHEMBL4776684 0.83 ROCK1 (0.42) ROCK1ROCK2TSHRAURKADYRK3
Hydrochloric Acid SCHEMBL4956924 0.83 ROCK1 (0.42) ROCK1ROCK2TSHRSLC2A1AURKA
Hydrochloric Acid SCHEMBL4725350 0.82 ROCK1 (0.42) ROCK1ROCK2TSHRAURKADYRK3

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-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US claimed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US claimed
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 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-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 ROCK1 4331/4885ROCK2 4405/4885KDM4E 1973/4885

“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.