SCHEMBL400391

SCHEMBL400391

Nc1ncnc2c1c(-c1cc3nc(-c4ccccn4)ccc3cc1Cl)nn2C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.54
PIK3CD O00329 13/20 0.54
PIK3CA P42336 13/20 0.54
PIK3CB P42338 13/20 0.54
PIK3CG P48736 13/20 0.54
PRKDC P78527 13/20 0.54
ABL1 P00519 12/20 0.54
EGFR P00533 12/20 0.54
HCK P08631 12/20 0.54
SRC P12931 12/20 0.54
MTOR P42345 12/20 0.54
EPHB4 P54760 12/20 0.54
RET P07949 6/20 0.51
PI4KB Q9UBF8 4/20 0.49
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
BTK Q06187 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
Carbamic Acid SCHEMBL19244748 0.93 KDR (0.53) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL399448 0.91 KDR (0.46) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19244762 0.90 RET (0.49) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL401027 0.90 KDR (0.46) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL401386 0.90 RET (0.47) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL396337 0.90 PIK3CD (0.56) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL401489 0.87 RET (0.50) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL400020 0.87 KDR (0.42) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL401031 0.86 PIK3CD (0.66) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL401784 0.86 KDR (0.41) KDRPIK3CDPIK3CAPIK3CBPIK3CG

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 33 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
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
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 (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 KDR 1497/4885PIK3CD 448/4885PIK3CA 205/4885
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, IGFBP6, CDK6 KDR 958/4885PIK3CD 312/4885PIK3CA 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 KDR 221/4885PIK3CD 157/4885PIK3CA 33/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 KDR 1497/4885PIK3CD 448/4885PIK3CA 205/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 KDR 1497/4885PIK3CD 448/4885PIK3CA 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.