SCHEMBL353208

SCHEMBL353208

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1cccnc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
SRC P12931 1/20 0.40
NAMPT P43490 4/20 0.40
ATG4B Q9Y4P1 1/20 0.38
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
STAT6 P42226 1/20 0.37
ACKR3 P25106 1/20 0.37
AURKA O14965 1/20 0.37
CDK8 P49336 1/20 0.37
AURKB Q96GD4 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
LMNA P02545 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CG P48736 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
SCHEMBL353737 0.94 ROCK2 (0.43) ROCK2ROCK1NAMPTATG4BTP53
SCHEMBL352905 0.89 ROCK2 (0.47) ROCK2ROCK1SRCNAMPTATG4B
SCHEMBL353566 0.85 NAMPT (0.38) NAMPTPIK3R1PIK3CAMTORPIK3CD
SCHEMBL353550 0.82 ROCK2 (0.49) ROCK2ROCK1NAMPTATG4BLMNA
SCHEMBL354215 0.79 TSHR (0.35) NAMPT
SCHEMBL354447 0.78 ROCK2 (0.51) ROCK2ROCK1NAMPTATG4BAURKA
SCHEMBL352804 0.78 ROCK2 (0.48) ROCK2ROCK1NAMPTATG4BTP53
SCHEMBL353291 0.77 ROCK2 (0.48) ROCK2ROCK1NAMPTATG4BTP53
Cyclohexane SCHEMBL19119453 0.77 ROCK2 (0.50) ROCK2ROCK1NAMPTATG4BTP53
Cyclopentane SCHEMBL19119283 0.77 ROCK2 (0.50) ROCK2ROCK1NAMPTATG4BTP53

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 ROCK2 4626/4885ROCK1 4747/4885SRC 3665/4885

“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.