SCHEMBL401953

SCHEMBL401953

Nc1nccn2c(C3CC(O)C3)nc(-c3cc4nc(-c5cccs5)ccc4cc3Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.47
CYP3A4 P08684 9/20 0.47
MAPK3 P27361 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPK6 Q16659 1/20 0.47
TNK2 Q07912 6/20 0.47
INSR P06213 2/20 0.46
KDR P35968 2/20 0.46
FGFR1 P11362 2/20 0.46
RIPK2 O43353 1/20 0.46
ROCK2 O75116 1/20 0.46
LATS1 O95835 1/20 0.46
LCK P06239 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
ABCB1 P08183 1/20 0.46
MET P08581 1/20 0.46
INSRR P14616 1/20 0.46
FECH P22830 1/20 0.46
MARK3 P27448 1/20 0.46

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
SCHEMBL399407 0.90 IGF1R (0.59) IGF1RCYP3A4TNK2FGFR1
SCHEMBL400239 0.88 IGF1R (0.63) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL399692 0.88 IGF1R (0.61) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL401729 0.87 IGF1R (0.63) IGF1RCYP3A4MAPK3MAPK1MAPK6
Carbamic Acid SCHEMBL4066334 0.87 TNK2 (0.54) IGF1RCYP3A4TNK2FGFR1
SCHEMBL399341 0.87 IGF1R (0.62) IGF1RCYP3A4TNK2FGFR1
SCHEMBL402214 0.87 IGF1R (0.61) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL401970 0.86 TNK2 (0.52) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL399766 0.82 IGF1R (0.59) IGF1RTNK2
SCHEMBL401147 0.80 TNK2 (0.51) IGF1RCYP3A4TNK2

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 35 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-8101613-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-01-24 US claimed
EP-2168968-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2010-03-31 EP claimed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US claimed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 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-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 (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 IGF1R 1/4885CYP3A4 1815/4885MAPK3 61/4885
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, IGFBP6, CDK6 IGF1R 1/4885CYP3A4 2272/4885MAPK3 228/4885
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 IGF1R 1/4885CYP3A4 2312/4885MAPK3 475/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885MAPK3 61/4885

“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.