SCHEMBL3496136

SCHEMBL3496136

NS(=O)(=O)c1cccc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.43
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
MTOR P42345 1/20 0.37
SMG1 Q96Q15 1/20 0.37
IKBKB O14920 5/20 0.37
CHUK O15111 4/20 0.37
SYK P43405 4/20 0.36
BRD4 O60885 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
TP53 P04637 1/20 0.35
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
SCHEMBL3494405 0.86 FYN (0.46) FYNIKBKBCHUKSYKBRD4
SCHEMBL3495804 0.86 FYN (0.47) FYNIKBKBCHUKSYKBRD4
SCHEMBL3501917 0.83 FYN (0.47) FYNIKBKBCHUKSYKBRD4
SCHEMBL3632474 0.83 FYN (0.41) FYNCDK1CDK2IKBKBCHUK
SCHEMBL3494851 0.83 FYN (0.40) FYNCDK1CDK2IKBKBCHUK
SCHEMBL3493698 0.82 BRD4 (0.42) FYNIKBKBCHUKSYKBRD4
SCHEMBL3496210 0.81 BRD4 (0.43) FYNIKBKBCHUKSYKBRD4
SCHEMBL3493696 0.81 BRD4 (0.42) FYNIKBKBCHUKSYKBRD4
Morpholine SCHEMBL3639575 0.80 FYN (0.41) FYNIKBKBCHUKSYKBRD4
SCHEMBL3496169 0.80 IKBKB (0.40) FYNIKBKBCHUKBRD4CDK11B

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 10 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-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
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
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 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
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 FYN 3734/4885CDK1 1120/4885CDK2 1316/4885

“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.