SCHEMBL3493698

SCHEMBL3493698

CS(=O)(=O)Nc1ccc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)cc1.[Na]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.42
KIF11 P52732 1/20 0.39
PTGS2 P35354 7/20 0.39
MAPK10 P53779 1/20 0.37
IKBKB O14920 2/20 0.37
CHUK O15111 1/20 0.37
FYN P06241 1/20 0.36
PDE2A O00408 1/20 0.36
SYK P43405 1/20 0.35
GAA P10253 1/20 0.35
PPARA Q07869 1/20 0.34
CDK11B P21127 1/20 0.34
CDK7 P50613 1/20 0.34
CDK13 Q14004 1/20 0.34
MAP3K19 Q56UN5 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
CDK11A Q9UQ88 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
SCHEMBL3496210 0.99 BRD4 (0.43) BRD4KIF11PTGS2MAPK10IKBKB
SCHEMBL3493696 0.98 BRD4 (0.42) BRD4KIF11PTGS2MAPK10IKBKB
SCHEMBL3494405 0.84 FYN (0.46) BRD4IKBKBCHUKFYNSYK
SCHEMBL3497536 0.84 TTK (0.42) BRD4IKBKBCHUKFYNCDK11B
SCHEMBL3500422 0.84 BRD4 (0.45) BRD4IKBKBCHUK
SCHEMBL3632474 0.83 FYN (0.41) BRD4IKBKBCHUKFYNSYK
SCHEMBL3494851 0.83 FYN (0.40) BRD4IKBKBCHUKFYNSYK
SCHEMBL3496136 0.82 FYN (0.43) BRD4IKBKBCHUKFYNSYK
SCHEMBL3495367 0.81 PDE5A (0.45) BRD4IKBKBCHUKFYN
SCHEMBL3501917 0.80 FYN (0.47) BRD4IKBKBCHUKFYNSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 US disclosed
EP-2155750-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES Mutabilis SA (FR) 2010-02-24 EP disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 WO disclosed
EP-1972629-A1 New imidazolo-heteroaryl derivatives with antibacterial properties Mutabilis SA (FR) 2008-09-24 EP 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-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES DLAT, DLST, DNTT BRD4 1472/4885KIF11 3656/4885PTGS2 1931/4885

“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.