SCHEMBL1129617

SCHEMBL1129617

CCc1cc(Oc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LTA4H P09960 4/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
LIPE Q05469 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21772156 0.83 DGAT1 (0.50) MMP2MMP13MAOAMAOBALOX5
SCHEMBL29876160 0.83 DGAT1 (0.50) MMP2MMP13MAOAMAOBALOX5
SCHEMBL1128760 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL1129339 0.81 LTA4H (0.47) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL30143835 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL29792085 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL13860167 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL4357613 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL1129675 0.79 LTA4H (0.43) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL13202141 0.78 CXCR2 (0.49) LIPEMAOAPTGS2CA1CA2

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-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 US disclosed
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 (2 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 PDE4A 1037/4885PDE4B 1682/4885PDE4C 1999/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 PDE4A 4456/4885PDE4B 4043/4885PDE4C 4298/4885

“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.