SCHEMBL1129339

SCHEMBL1129339

CCOc1cc(Oc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MGLL Q99685 1/20 0.37
LIPE Q05469 1/20 0.36
TNK2 Q07912 2/20 0.36
DGAT1 O75907 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL1129675 0.85 LTA4H (0.43) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL1129617 0.81 PDE4A (0.42) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL1130864 0.81 LIPE (0.43) PDE4APDE4BPDE4CPDE4DLIPE
SCHEMBL1128760 0.79 PDE4A (0.44) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL23680880 0.78 ALDH1A1 (0.43) LPLLIPGMEN1CYP1A2CYP2C19
SCHEMBL30143835 0.78 PDE4A (0.43) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL13860167 0.78 PDE4A (0.43) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL29792085 0.78 PDE4A (0.43) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL24094141 0.78 KDM4E (0.40) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL4357613 0.78 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.