SCHEMBL399672

SCHEMBL399672

CC(C)NC(=O)CN1CCN(C2CC(C3=C4C=NC=C[N+]4(N)C(c4ccc5ccc(-c6ccccc6)nc5c4)=N3)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
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
CYP11B2 P19099 2/20 0.34
PTPN11 Q06124 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
AVPR1B P47901 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 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
SCHEMBL400729 0.88 IGF1R (0.38) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL400414 0.87 IGF1R (0.40) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL401061 0.86 IGF1R (0.39) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL398423 0.86 IGF1R (0.40) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL401941 0.86 IGF1R (0.47) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL397207 0.86 ACACB (0.39) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL400256 0.85 IGF1R (0.49) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL402576 0.85 IGF1R (0.47) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL868025 0.84 IGF1R (0.40) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL402773 0.83 IGF1R (0.40) IGF1RCYP3A4INSRMAPK3MAPK1

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 11 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-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-02 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
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-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 NOS3 1824/4885NOS1 1919/4885IGF1R 1/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 NOS3 1824/4885NOS1 1919/4885IGF1R 1/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 NOS3 1824/4885NOS1 1919/4885IGF1R 1/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 NOS3 1824/4885NOS1 1919/4885IGF1R 1/4885

“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.