SCHEMBL4240900

SCHEMBL4240900

Fc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
KDM4E B2RXH2 2/20 0.46
IGF1R P08069 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4253037 0.94 MAPT (0.60) MAPTL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL4391668 0.88 MAPT (0.54) MAPTL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL4394614 0.88 MAPT (0.59) MAPTL3MBTL1LMNAALDH1A1HTR1A
SCHEMBL4396325 0.88 MAPT (0.54) MAPTL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL4240754 0.87 MAPT (0.53) MAPTL3MBTL1LMNAALDH1A1HTR1A
SCHEMBL4395226 0.86 MAPT (0.67) MAPTL3MBTL1LMNAHTTALDH1A1
SCHEMBL4245787 0.86 MAPT (0.67) MAPTL3MBTL1LMNAHTTALDH1A1
SCHEMBL4245287 0.84 MAPT (0.42) MAPTL3MBTL1LMNAHTTALDH1A1
SCHEMBL4395117 0.83 SLC6A2 (0.50) MAPTL3MBTL1LMNAHTTALDH1A1
SCHEMBL4243305 0.83 MAPT (0.48) MAPTL3MBTL1LMNAALDH1A1MAPK1

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 MAPT 3880/4885L3MBTL1 1924/4885LMNA 2895/4885

“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.