SCHEMBL4248465

SCHEMBL4248465

N#Cc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.46
PARP1 P09874 5/20 0.44
GPR39 O43194 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 2/20 0.44
PRKAA2 P54646 1/20 0.42
TNK2 Q07912 2/20 0.42
TNK1 Q13470 2/20 0.42
RET P07949 3/20 0.41
CXCR3 P49682 1/20 0.41
MAPT P10636 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL4071799 0.86 MAOB (0.50) SMOPARP1DRD4
SCHEMBL4249833 0.86 GPR39 (0.48) SMOPARP1GPR39PDE3BPDE3A
SCHEMBL4244848 0.85 DRD2 (0.46) PARP1DRD2DRD3DRD4TNK2
SCHEMBL4240910 0.85 MAPT (0.42) PARP1DRD2DRD3DRD4MAPT
SCHEMBL4246582 0.85 DRD3 (0.54) PARP1DRD2DRD3DRD4MAPT
SCHEMBL4248577 0.85 MAPT (0.45) PARP1DRD2DRD3DRD4MAPT
SCHEMBL4400914 0.85 DRD2 (0.52) DRD2DRD3DRD4MAPTKDM4E
SCHEMBL4245287 0.85 MAPT (0.42) PARP1DRD2DRD3DRD4MAPT
SCHEMBL4252387 0.84 SMN1; SMN2 (0.53) SMODRD4PRKAA2MAPTKDM4E
SCHEMBL4250993 0.83 MAOB (0.47) SMOPARP1DRD4KDM4E

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 4 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
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 SMO 1890/4885PARP1 2083/4885GPR39 3879/4885

“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.