SCHEMBL4251252

SCHEMBL4251252

Fc1ccc(-c2n[nH]cc2CN2CCN(c3cnccn3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.59
DRD2 P14416 3/20 0.59
DRD3 P35462 3/20 0.59
KDM4E B2RXH2 5/20 0.47
PKM P14618 2/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 3/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4252062 0.86 KDM4E (0.59) DRD4DRD2DRD3KDM4EMAPT
SCHEMBL4252187 0.83 KDM4E (0.52) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4248453 0.82 KDM4E (0.52) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4249777 0.82 KDM4E (0.59) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4248577 0.82 MAPT (0.45) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4240910 0.82 MAPT (0.42) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4245287 0.82 MAPT (0.42) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4246582 0.82 DRD3 (0.54) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4400914 0.82 DRD2 (0.52) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4253037 0.81 MAPT (0.60) DRD4DRD2DRD3KDM4EALDH1A1

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 DRD4 4818/4885DRD2 4806/4885DRD3 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.