SCHEMBL4252187

SCHEMBL4252187

Cc1ccnc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.42
DRD4 P21917 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
DPP4 P27487 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4248453 0.87 KDM4E (0.52) KDM4EALDH1A1L3MBTL1MAPTDRD4
SCHEMBL4244848 0.85 DRD2 (0.46) KDM4ENPSR1ALDH1A1L3MBTL1POLB
SCHEMBL4246582 0.84 DRD3 (0.54) KDM4ENPSR1ALDH1A1L3MBTL1POLB
SCHEMBL4252062 0.84 KDM4E (0.59) KDM4EPOLBMAPTDRD4DRD2
SCHEMBL4391668 0.84 MAPT (0.54) KDM4ENPSR1ALDH1A1L3MBTL1POLB
SCHEMBL4251252 0.83 DRD4 (0.59) KDM4ENPSR1ALDH1A1L3MBTL1POLB
SCHEMBL4255272 0.82 LMNA (0.48) KDM4ENPSR1ALDH1A1L3MBTL1POLB
SCHEMBL4249777 0.80 KDM4E (0.59) KDM4EALDH1A1POLBDRD4DRD2
SCHEMBL4249994 0.80 NPC1 (0.51) KDM4ENPSR1ALDH1A1L3MBTL1POLB
SCHEMBL4253037 0.80 MAPT (0.60) KDM4EALDH1A1L3MBTL1MAPTDRD4

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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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 KDM4E 1856/4885NPSR1 4562/4885ALDH1A1 4470/4885

“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.