SCHEMBL4246264

SCHEMBL4246264

N#Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.48
DRD4 P21917 9/20 0.48
DRD3 P35462 9/20 0.48
MAPKAPK2 P49137 1/20 0.39
AR P10275 2/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
NOTUM Q6P988 2/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ADORA1 P30542 1/20 0.37
GPR6 P46095 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.36
TNK1 Q13470 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
SCHEMBL4249510 0.89 MAPT (0.45) DRD2DRD4DRD3NOTUMLMNA
SCHEMBL4399772 0.82 DRD4 (0.43) DRD2DRD4DRD3MAPKAPK2
SCHEMBL4246064 0.81 PPARD (0.42) DRD2DRD4DRD3ARKCNH2
SCHEMBL4395117 0.78 SLC6A2 (0.50) DRD2DRD4DRD3LMNAMAPT
SCHEMBL4071799 0.76 MAOB (0.50) DRD4ARKCNH2GRM2LMNA
SCHEMBL4249833 0.75 GPR39 (0.48) DRD2DRD4DRD3ARKCNH2
SCHEMBL4390463 0.75 LRRK2 (0.45) DRD2DRD4DRD3ARKCNH2
SCHEMBL4253037 0.73 MAPT (0.60) DRD2DRD4DRD3LMNAMAPT
SCHEMBL4250993 0.73 MAOB (0.47) DRD4ARKCNH2GRM2LMNA
SCHEMBL4394614 0.73 MAPT (0.59) DRD2DRD4DRD3LMNAMAPT

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
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
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 DRD2 4806/4885DRD4 4818/4885DRD3 4698/4885

“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.