SCHEMBL1396298

SCHEMBL1396298

O=C1Cc2cc(-c3ccc(C(F)(F)F)cc3)cnc2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.67
KDR P35968 2/20 0.67
GSK3B P49841 2/20 0.67
CDK5 Q00535 2/20 0.67
MAP4K4 O95819 2/20 0.67
CHEK1 O14757 1/20 0.67
AURKA O14965 1/20 0.67
DAPK3 O43293 1/20 0.67
PRKD3 O94806 1/20 0.67
NTRK1 P04629 1/20 0.67
CSF1R P07333 1/20 0.67
RET P07949 1/20 0.67
MET P08581 1/20 0.67
PDGFRB P09619 1/20 0.67
PIM1 P11309 1/20 0.67
FGFR1 P11362 1/20 0.67
PDGFRA P16234 1/20 0.67
FLT1 P17948 1/20 0.67
LTK P29376 1/20 0.67
GRK5 P34947 1/20 0.67

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
SCHEMBL4891646 0.90 KIF11 (0.62) ABL1KDRGSK3BCDK5MAP4K4
SCHEMBL5873863 0.80 KDR (1.00) ABL1KDRGSK3BCDK5MAP4K4
SCHEMBL4596129 0.79 KIF11 (0.42) ABL1KDRGSK3BCDK5MAP4K4
SCHEMBL3141083 0.77 ABL1 (0.76) ABL1KDRGSK3BCDK5MAP4K4
SCHEMBL13854158 0.77 ABL1 (0.67) ABL1KDRGSK3BCDK5MAP4K4
SCHEMBL13854137 0.76 ABL1 (0.74) ABL1KDRGSK3BCDK5MAP4K4
SCHEMBL1903306 0.76 KIF11 (0.80) KDRMETTDP2KIF11CDK1
SCHEMBL15230494 0.76 METAP2 (0.53) ABL1KDRGSK3BCDK5MAP4K4
SCHEMBL25079792 0.76 CCR6 (0.47) ABL1KDRGSK3BCDK5MAP4K4
SCHEMBL25079822 0.75 CCR6 (0.70) CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288605-B1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-06-25 EP disclosed
EP-2288605-B1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-06-25 EP disclosed
US-8329725-B2 Annelated pyrrolidin sulfonamides with oxadiazolone headgroup, processes for their preparation and their use as pharmaceuticals SANOFI (FR) 2012-12-11 US disclosed
US-8329725-B2 Annelated pyrrolidin sulfonamides with oxadiazolone headgroup, processes for their preparation and their use as pharmaceuticals SANOFI (FR) 2012-12-11 US disclosed
US-8329725-B2 Annelated pyrrolidin sulfonamides with oxadiazolone headgroup, processes for their preparation and their use as pharmaceuticals SANOFI (FR) 2012-12-11 US disclosed
US-20110207738-A1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-08-25 US disclosed
US-20110207738-A1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-08-25 US disclosed
US-20110207738-A1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-08-25 US disclosed
EP-2288605-A1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2011-03-02 EP disclosed
WO-2009149819-A1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-12-17 WO disclosed
WO-2009149819-A1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-12-17 WO 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-20110207738-A1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS PPARD, PPARA, PPARG ABL1 4551/4885KDR 2614/4885GSK3B 3376/4885

“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.