SCHEMBL436305

SCHEMBL436305

CC(C)(C)OC(=O)N1CCN(C2CC(C3=C4C=NC=C[N+]4(Cl)C(c4ccc5ccc(-c6ccccc6)nc5c4)=N3)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.36
CYP3A4 P08684 5/20 0.36
INSR P06213 2/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK6 Q16659 1/20 0.36
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
HPGDS O60760 1/20 0.33
USP30 Q70CQ3 1/20 0.32
BACE1 P56817 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL437280 0.90 IGF1R (0.39) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL437978 0.88 IGF1R (0.36) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL399442 0.86 IGF1R (0.45) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL397712 0.84 IGF1R (0.47) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL397207 0.83 ACACB (0.39) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL399390 0.80 IGF1R (0.32) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL401061 0.80 IGF1R (0.39) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL400783 0.79 IGF1R (0.33) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL1565445 0.79 IGF1R (0.38) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL399781 0.79 TRPC3 (0.40) GPR119

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 1815/4885INSR 27/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885INSR 27/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885INSR 27/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885INSR 27/4885

“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.