SCHEMBL352604

SCHEMBL352604

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1csc(-c2cccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.53
ROCK1 Q13464 12/20 0.53
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
SGK1 O00141 1/20 0.41
AKT1 P31749 1/20 0.41
GSK3B P49841 1/20 0.41
LIMK1 P53667 1/20 0.41
TNK2 Q07912 1/20 0.41
DMPK Q09013 1/20 0.41
MYLK Q15746 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL19119246 0.87 ROCK1 (0.51) ROCK2ROCK1NAMPTLMNASGK1
SCHEMBL353260 0.86 ROCK2 (0.57) ROCK2ROCK1NAMPTLMNASGK1
SCHEMBL354035 0.83 ROCK1 (0.57) ROCK2ROCK1NAMPTSGK1AKT1
SCHEMBL352824 0.83 ROCK1 (0.54) ROCK2ROCK1NAMPTSGK1AKT1
SCHEMBL353576 0.82 ROCK1 (0.57) ROCK2ROCK1NAMPTSGK1AKT1
SCHEMBL353347 0.81 ROCK1 (0.56) ROCK2ROCK1NAMPTSGK1AKT1
SCHEMBL353812 0.81 ROCK2 (0.51) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL352800 0.81 ROCK2 (0.53) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL352900 0.80 ROCK2 (0.51) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL353559 0.80 ROCK2 (0.52) ROCK2ROCK1SGK1AKT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ROCK2 4626/4885ROCK1 4747/4885NAMPT 262/4885

“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.