SCHEMBL401046

SCHEMBL401046

Cc1cc(-c2ccccc2)nc2cc(-c3nn(C4CC(O)C4)c4ncnc(N)c34)ccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.53
BTK Q06187 6/20 0.53
PIK3CA P42336 12/20 0.50
PIK3CB P42338 12/20 0.50
PIK3CG P48736 12/20 0.50
PRKDC P78527 12/20 0.50
EGFR P00533 12/20 0.47
ABL1 P00519 11/20 0.47
HCK P08631 11/20 0.47
SRC P12931 11/20 0.47
KDR P35968 11/20 0.47
MTOR P42345 11/20 0.47
EPHB4 P54760 11/20 0.47
ATR Q13535 1/20 0.47
PI4KB Q9UBF8 6/20 0.47
IGF1R P08069 2/20 0.46
ERBB2 P04626 1/20 0.46
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45

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
SCHEMBL402191 0.91 PIK3CD (0.51) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL399077 0.90 PIK3CD (0.62) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL402242 0.88 PIK3CD (0.48) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL400677 0.88 PIK3CD (0.47) PIK3CDBTKPIK3CAPIK3CBPIK3CG
Carbamic Acid SCHEMBL19244755 0.87 PIK3CD (0.58) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL403059 0.87 BTK (0.53) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL401355 0.87 PIK3CD (0.56) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL399523 0.86 PIK3CD (0.47) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL398133 0.86 PIK3CD (0.51) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL401320 0.86 PIK3CD (0.52) PIK3CDBTKPIK3CAPIK3CBPIK3CG

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 37 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
CN-1960993-A 6, 6-bicyclic substituted heterobicyclic protein kinase inhibitors OSI PHARM INC (US) 2007-05-09 CN 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
CN-102924458-B 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2014-11-05 CN 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
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed
CN-1960993-A 6, 6-bicyclic substituted heterobicyclic protein kinase inhibitors OSI PHARM INC (US) 2007-05-09 CN 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-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, IGFBP6, CDK6 PIK3CD 312/4885BTK 301/4885PIK3CA 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 157/4885BTK 77/4885PIK3CA 33/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 PIK3CD 448/4885BTK 146/4885PIK3CA 205/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 PIK3CD 448/4885BTK 146/4885PIK3CA 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.