SCHEMBL351643

SCHEMBL351643

O=C(NCc1ccc(Cl)c(Cl)c1)Nc1nc(CI)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.49
ROCK2 O75116 15/20 0.49
AURKA O14965 1/20 0.47
DYRK3 O43781 1/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MARK3 P27448 1/20 0.47
MAPK1 P28482 1/20 0.47
AKT1 P31749 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
RPS6KA3 P51812 1/20 0.47
PRKX P51817 1/20 0.47
LIMK1 P53667 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK1G2 P78368 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
SCHEMBL4777145 0.89 SCD (0.51) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL353663 0.89 KMT2A (0.51) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL353214 0.87 ROCK1 (0.48) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL4726384 0.87 SCD (0.53) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL4781259 0.87 SCD (0.53) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL3651090 0.86 ROCK1 (0.47) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL353373 0.85 ROCK1 (0.47) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL3651089 0.85 ROCK1 (0.47) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL4726379 0.85 TSHR (0.51) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL4726467 0.85 ROCK1 (0.47) ROCK1ROCK2AURKADYRK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015193-A1 ANTIBACTERIAL SULFONE AND SULFOXIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO 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 (3 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ROCK1 4747/4885ROCK2 4626/4885AURKA 1691/4885
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD ROCK1 4658/4885ROCK2 4700/4885AURKA 3208/4885
US-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 ROCK1 4331/4885ROCK2 4405/4885AURKA 1196/4885

“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.