Sugi Predict

Sugi Predict / Compounds / SCHEMBL400429

SCHEMBL400429

SCHEMBL400429

Nc1nccn2c(C(c3ccc4ccc(-c5ccccc5)nc4c3)C3CCN(C(=O)OCc4ccccc4)CC3)ncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 14/20 0.40
▸ CYP3A4 P08684 9/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GRIN2B Q13224 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37
▸ INSR P06213 2/20 0.37
▸ MAPK3 P27361 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ LATS1 O95835 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ RET P07949 1/20 0.37

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
SCHEMBL398837 0.92 GRIN2B (0.38) CYP3A4SMN1; SMN2CYP2C19GRIN2BNPC1
SCHEMBL398345 0.88 IGF1R (0.43) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL396481 0.87 IGF1R (0.42) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL402712 0.86 IGF1R (0.41) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL401370 0.86 TNK2 (0.43) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL400836 0.81 IGF1R (0.33) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL3900334 0.76 IGF1R (0.51) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL400337 0.75 IGF1R (0.69) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL400427 0.74 IGF1R (0.55) IGF1RCYP3A4GRIN2BINSRMAPK3
SCHEMBL10225474 0.71 IGF1R (0.72) 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 19 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-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
US-7820662-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-10-26 — — US 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-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 — — US 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 (6 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 1815/4885SMN1; SMN2 2622/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885SMN1; SMN2 2622/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885SMN1; SMN2 2622/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885SMN1; SMN2 2622/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885SMN1; SMN2 2622/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885SMN1; SMN2 2622/4885

“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.