SCHEMBL4249833

SCHEMBL4249833

N#Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RET P07949 11/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
AR P10275 1/20 0.41
KCNH2 Q12809 1/20 0.41
PARP1 P09874 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
SMO Q99835 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL4400914 0.87 DRD2 (0.52) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL4071799 0.86 MAOB (0.50) DRD4ARKCNH2PARP1PPARG
SCHEMBL4248465 0.86 SMO (0.46) GPR39PDE3BPDE3AMAPTRET
SCHEMBL4250993 0.83 MAOB (0.47) DRD4ARKCNH2PARP1PPARG
SCHEMBL4390463 0.82 LRRK2 (0.45) DRD2DRD4DRD3ARKCNH2
SCHEMBL4246064 0.77 PPARD (0.42) ALDH1A1MAPTRETDRD2DRD4
SCHEMBL4244848 0.75 DRD2 (0.46) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL4246264 0.75 DRD2 (0.48) MAPTDRD2DRD4DRD3AR
SCHEMBL4246923 0.75 SMO (0.61) ALDH1A1RETDRD4PARP1PPARG
SCHEMBL4399772 0.75 DRD4 (0.43) DRD2DRD4DRD3

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 GPR39 3879/4885PDE3B 1128/4885PDE3A 1575/4885

“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.