SCHEMBL400347

SCHEMBL400347

Nc1ncnc2c1c(-c1ccc3ccc(-c4cccs4)nc3c1)nn2C1=CC=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.44
PRKDC P78527 12/20 0.44
PIK3CA P42336 12/20 0.44
PIK3CB P42338 12/20 0.44
PIK3CG P48736 12/20 0.44
SRC P12931 10/20 0.44
ABL1 P00519 7/20 0.44
MTOR P42345 6/20 0.44
EGFR P00533 5/20 0.44
HCK P08631 4/20 0.44
KDR P35968 4/20 0.44
EPHB4 P54760 4/20 0.44
RICTOR Q6R327 1/20 0.39
RPTOR Q8N122 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
MAPKAP1 Q9BPZ7 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL401212 0.87 SRC (0.36) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL399597 0.87 PIK3CD (0.39) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL400557 0.87 SRC (0.51) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL401032 0.84 SRC (0.45) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL401232 0.83 SRC (0.40) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL400346 0.79 PIK3CD (0.62) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL400802 0.78 NUDT14 (0.48) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL397057 0.78 PIK3CD (0.51) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL867973 0.76 PIK3CD (0.53) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL399078 0.75 SRC (0.47) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG

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 31 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 claimed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US claimed
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-02 US claimed
EP-2168968-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2010-03-31 EP claimed
US-20080299113-A1 Combined treatment with and composition of 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents OSI PHARMACEUTICALS, INC. 2008-12-04 US claimed
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP claimed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO claimed
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents OSI PHARMACEUTICALS, INC. 2008-01-17 US claimed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO claimed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US claimed
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-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-8575164-B2 Combination cancer therapy OSI Pharmaceuticals, LLC (US) 2013-11-05 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents OSI PHARMACEUTICALS, INC. 2008-01-17 US disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 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 (5 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-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 PIK3CD 448/4885PRKDC 286/4885PIK3CA 205/4885
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, IGFBP6, CDK6 PIK3CD 312/4885PRKDC 460/4885PIK3CA 123/4885
US-20080299113-A1 Combined treatment with and composition of 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, EGFR, ERBB2 PIK3CD 157/4885PRKDC 539/4885PIK3CA 33/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 PIK3CD 448/4885PRKDC 286/4885PIK3CA 205/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 PIK3CD 448/4885PRKDC 286/4885PIK3CA 205/4885

“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.