SCHEMBL353443

SCHEMBL353443

COc1ccc(COCc2onc(C)c2C(=O)N(C)Cc2csc(NC(=O)NCc3cccc(F)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.42
ROCK2 O75116 9/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
RAB9A P51151 1/20 0.40
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 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
SCHEMBL352392 0.90 ROCK1 (0.47) ROCK1ROCK2GSK3BRAB9AMEN1
SCHEMBL355123 0.84 ROCK2 (0.51) ROCK1ROCK2GSK3BRAB9AMEN1
SCHEMBL352935 0.83 ROCK2 (0.48) ROCK1ROCK2GSK3BMEN1KMT2A
SCHEMBL4725993 0.80 ROCK1 (0.47) ROCK1ROCK2MEN1KMT2A
SCHEMBL353748 0.80 P2RX7 (0.39) ROCK1ROCK2GSK3AGSK3BLMNA
SCHEMBL354050 0.80 ROCK1 (0.54) ROCK1ROCK2GSK3B
SCHEMBL352833 0.79 ROCK2 (0.49) ROCK1ROCK2GSK3BMEN1KMT2A
SCHEMBL351601 0.79 ROCK2 (0.53) ROCK1ROCK2GSK3B
SCHEMBL353010 0.79 ROCK2 (0.53) ROCK1ROCK2GSK3B
SCHEMBL352836 0.78 ROCK2 (0.51) ROCK1ROCK2GSK3B

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 6 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 claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP 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

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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ROCK1 4747/4885ROCK2 4626/4885GSK3A 4509/4885

“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.