SCHEMBL397959

SCHEMBL397959

Nc1ncnc2c1c(-c1cc3nc(-c4cccs4)ccc3cc1Cl)nn2C1CC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.42
BTK Q06187 3/20 0.42
KDR P35968 13/20 0.42
EGFR P00533 13/20 0.42
PIK3CA P42336 12/20 0.42
PIK3CB P42338 12/20 0.42
PIK3CG P48736 12/20 0.42
PRKDC P78527 12/20 0.42
ABL1 P00519 11/20 0.42
HCK P08631 11/20 0.42
SRC P12931 11/20 0.42
MTOR P42345 11/20 0.42
EPHB4 P54760 11/20 0.42
PI4KB Q9UBF8 6/20 0.42
RET P07949 3/20 0.41
ERBB2 P04626 2/20 0.39
IGF1R P08069 2/20 0.39
ERBB3 P21860 1/20 0.39
ERBB4 Q15303 1/20 0.39
ATR Q13535 1/20 0.37

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
SCHEMBL401211 0.90 KDR (0.51) PIK3CDKDREGFRPIK3CAPIK3CB
SCHEMBL402172 0.88 PIK3CD (0.38) PIK3CDBTKKDREGFRPIK3CA
SCHEMBL397057 0.88 PIK3CD (0.51) PIK3CDBTKKDREGFRPIK3CA
SCHEMBL402364 0.87 IGF1R (0.40) PIK3CDBTKKDREGFRPIK3CA
SCHEMBL400087 0.87 KDR (0.43) PIK3CDBTKKDREGFRPIK3CA
Carbamic Acid SCHEMBL19244765 0.87 PIK3CD (0.49) PIK3CDBTKKDREGFRPIK3CA
SCHEMBL400301 0.87 PIK3CD (0.47) PIK3CDBTKKDREGFRPIK3CA
SCHEMBL397895 0.87 PIK3CD (0.43) PIK3CDBTKKDREGFRPIK3CA
SCHEMBL401027 0.85 KDR (0.46) PIK3CDBTKKDREGFRPIK3CA
SCHEMBL400063 0.85 ABL1 (0.51) PIK3CDBTKKDREGFRPIK3CA

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 PIK3CD 448/4885BTK 146/4885KDR 1497/4885
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, IGFBP6, CDK6 PIK3CD 312/4885BTK 301/4885KDR 958/4885
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 77/4885KDR 221/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 PIK3CD 448/4885BTK 146/4885KDR 1497/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 PIK3CD 448/4885BTK 146/4885KDR 1497/4885

“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.