SCHEMBL353769

SCHEMBL353769

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1ccc(-n2cncn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
ATG4B Q9Y4P1 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.37
NAMPT P43490 3/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL353802 0.89 ROCK1 (0.47) KDM4EALDH1A1ROCK2ROCK1ATG4B
SCHEMBL354127 0.84 KDM4E (0.38) KDM4EALDH1A1GLAHTTSMN1; SMN2
SCHEMBL353291 0.77 ROCK2 (0.48) ROCK2ROCK1ATG4BNPC1NAMPT
SCHEMBL354447 0.77 ROCK2 (0.51) ROCK2ROCK1ATG4BNPC1NAMPT
SCHEMBL352804 0.76 ROCK2 (0.48) ROCK2ROCK1ATG4BNPC1NAMPT
Cyclohexane SCHEMBL19119453 0.76 ROCK2 (0.50) ROCK2ROCK1ATG4BNPC1NAMPT
Cyclopentane SCHEMBL19119283 0.76 ROCK2 (0.50) ROCK2ROCK1ATG4BNPC1NAMPT
SCHEMBL353555 0.75 ATG4B (0.49) ROCK2ROCK1ATG4BNPC1NAMPT
SCHEMBL353094 0.75 ROCK2 (0.42) ALDH1A1ROCK2ROCK1ATG4BNPC1
SCHEMBL352752 0.75 ROCK2 (0.45) ROCK2ROCK1ATG4BNPC1NAMPT

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 KDM4E 1862/4885ALDH1A1 2806/4885ROCK2 4626/4885

“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.