SCHEMBL400901

SCHEMBL400901

Nc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)cn2c1cnc2[C@H]1CC[C@H](CNC(=O)C2CCCO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.41
CYP3A4 P08684 4/20 0.40
DGAT1 O75907 1/20 0.40
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
MAP4K4 O95819 1/20 0.37
ALDH1A1 P00352 6/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
INSR P06213 2/20 0.36
KDR P35968 2/20 0.36
ELOVL1 Q9BW60 1/20 0.36
EGFR P00533 1/20 0.36
HPGD P15428 4/20 0.36
ATM Q13315 1/20 0.36
TNK2 Q07912 2/20 0.36
SMO Q99835 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL400822 0.88 IGF1R (0.43) IGF1RCYP3A4MAP4K4INSRKDR
SCHEMBL398892 0.87 IGF1R (0.45) IGF1RCYP3A4MAP4K4INSRKDR
SCHEMBL401241 0.86 IGF1R (0.44) IGF1RCYP3A4MAP4K4INSRKDR
SCHEMBL4070273 0.85 IGF1R (0.45) IGF1RCYP3A4MAP4K4INSRKDR
SCHEMBL401993 0.84 IGF1R (0.43) IGF1RCYP3A4DGAT1MAP4K4INSR
SCHEMBL400900 0.81 IGF1R (0.66) IGF1RCYP3A4INSRKDREGFR
SCHEMBL400902 0.81 IGF1R (0.66) IGF1RCYP3A4INSRKDREGFR
SCHEMBL13840472 0.81 IGF1R (0.66) IGF1RCYP3A4INSRKDREGFR
SCHEMBL4073244 0.79 IGF1R (0.51) IGF1RCYP3A4INSRKDRTNK2
SCHEMBL1683067 0.78 IGF1R (0.45) IGF1RCYP3A4INSRKDREGFR

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 13 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-2305682-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2011-04-06 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 1815/4885DGAT1 4733/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885DGAT1 4733/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885DGAT1 4733/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885DGAT1 4733/4885

“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.