SCHEMBL1129675

SCHEMBL1129675

COc1cc(Oc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
NTRK2 Q16620 1/20 0.38
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL1129339 0.85 LTA4H (0.47) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL5899720 0.85 CA2 (0.47) ALDH1A1MAPTMEN1KMT2AEGFR
SCHEMBL29424578 0.85 CA2 (0.47) ALDH1A1MAPTMEN1KMT2AEGFR
SCHEMBL1130864 0.84 LIPE (0.43) PDE4APDE4BPDE4CPDE4DLPL
SCHEMBL1128760 0.82 PDE4A (0.44) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL17386213 0.81 DGAT1 (0.50) ALDH1A1GAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL13860167 0.81 PDE4A (0.43) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL30143835 0.81 PDE4A (0.43) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL29792085 0.81 PDE4A (0.43) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL4357613 0.81 PDE4A (0.43) LTA4HPDE4APDE4BPDE4CPDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 LTA4H 4152/4885PDE4A 1037/4885PDE4B 1682/4885

“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.