SCHEMBL4246064

SCHEMBL4246064

N#Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)nc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 4/20 0.41
MAPT P10636 2/20 0.39
DHFR P00374 1/20 0.39
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PRKAA2 P54646 1/20 0.38
AR P10275 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAP4K1 Q92918 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
LMNA P02545 1/20 0.37
MET P08581 1/20 0.37
MLYCD O95822 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
SCHEMBL14311324 0.87 DHFR (0.45) PPARDPPARAMAPTDHFRL3MBTL1
SCHEMBL4246264 0.81 DRD2 (0.48) DRD2DRD4DRD3MAPTAR
SCHEMBL4071799 0.81 MAOB (0.50) PPARDPPARADRD4ARKCNH2
SCHEMBL4399772 0.79 DRD4 (0.43) DRD2DRD4DRD3DHFRHRH1
SCHEMBL4250993 0.78 MAOB (0.47) PPARDPPARADRD4ARKCNH2
SCHEMBL4248465 0.77 SMO (0.46) DRD2DRD4DRD3MAPTPRKAA2
SCHEMBL4249833 0.77 GPR39 (0.48) PPARDPPARADRD2DRD4DRD3
SCHEMBL4390463 0.76 LRRK2 (0.45) DRD2DRD4DRD3HRH1HRH3
SCHEMBL4250183 0.75 PARP1 (0.34) PPARDPPARAMAPTARKCNH2
SCHEMBL13590960 0.75 PARP1 (0.34) PPARDPPARAMAPTARKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 PPARD 4433/4885PPARA 4281/4885DRD2 4806/4885

“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.