SCHEMBL397432

SCHEMBL397432

COc1nc(-c2ccccc2)nc2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
NR1I3 Q14994 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
VDR P11473 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
AHR P35869 1/20 0.49
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
WHR1 P49842 1/20 0.42
ALPL P05186 1/20 0.40
SNCA P37840 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL400205 0.84 LIPG (0.50) LPLLIPGWHR1SNCAMEN1
SCHEMBL25228518 0.79 SMN1; SMN2 (0.60) MAPTLPLLIPGKDM4EALDH1A1
SCHEMBL17412402 0.76 LIPG (0.57) LPLLIPGHPGDWHR1SNCA
SCHEMBL8148905 0.75 CYP1A2 (0.72) MAPTNR1I3CYP1A2CYP3A4VDR
SCHEMBL13541767 0.75 MAPT (0.60) MAPTNR1I3CYP1A2CYP3A4VDR
SCHEMBL400579 0.75 LIPG (0.51) MAPTCYP1A2LPLLIPGHPGD
SCHEMBL21031137 0.75 LIPG (0.51) LPLLIPGSNCA
SCHEMBL12424884 0.74 LIPG (0.77) LPLLIPGSNCA
SCHEMBL1083965 0.74 MAPT (0.81) MAPTNR1I3CYP1A2CYP3A4VDR
SCHEMBL31529342 0.74 MAPT (0.81) MAPTNR1I3CYP1A2CYP3A4VDR

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-8367826-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-05 US disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US disclosed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 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 (4 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-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885NR1I3 577/4885CYP1A2 1132/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885NR1I3 577/4885CYP1A2 1132/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885NR1I3 577/4885CYP1A2 1132/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885NR1I3 577/4885CYP1A2 1132/4885

“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.