SCHEMBL400822

SCHEMBL400822

Nc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)cn2c1cnc2[C@H]1CC[C@H](CNC(=O)C2CCOC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.43
CYP3A4 P08684 4/20 0.38
MAP4K4 O95819 3/20 0.37
ATR Q13535 1/20 0.37
TTK P33981 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
INSR P06213 3/20 0.35
KDR P35968 2/20 0.35
MAPK1 P28482 2/20 0.35
RIPK2 O43353 1/20 0.35
ROCK2 O75116 1/20 0.35
LATS1 O95835 1/20 0.35
LCK P06239 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
ABCB1 P08183 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
INSRR P14616 1/20 0.35

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
SCHEMBL401241 0.89 IGF1R (0.44) IGF1RCYP3A4MAP4K4INSRKDR
SCHEMBL400901 0.88 IGF1R (0.41) IGF1RCYP3A4MAP4K4INSRKDR
SCHEMBL398892 0.87 IGF1R (0.45) IGF1RCYP3A4MAP4K4TTKINSR
SCHEMBL4070273 0.85 IGF1R (0.45) IGF1RCYP3A4MAP4K4INSRKDR
SCHEMBL401993 0.84 IGF1R (0.43) IGF1RCYP3A4MAP4K4INSRKDR
SCHEMBL13840471 0.81 IGF1R (0.68) IGF1RCYP3A4INSRKDRMAPK1
SCHEMBL400821 0.81 IGF1R (0.68) IGF1RCYP3A4INSRKDRMAPK1
SCHEMBL400823 0.81 IGF1R (0.68) IGF1RCYP3A4INSRKDRMAPK1
SCHEMBL4073244 0.80 IGF1R (0.51) IGF1RCYP3A4INSRKDRMAPK1
SCHEMBL1683067 0.78 IGF1R (0.45) IGF1RCYP3A4INSRKDRMAPK1

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 12 patents. 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 disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8367826-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-05 US disclosed
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-02 US disclosed
US-20120077979-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-03-29 US disclosed
US-8101613-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-01-24 US disclosed
EP-2308879-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
EP-2168968-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US disclosed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US 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 (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-20120077979-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885MAP4K4 97/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885MAP4K4 97/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885MAP4K4 97/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885MAP4K4 97/4885

“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.