SCHEMBL400510

SCHEMBL400510

CNC(=O)C1CCC(C2=C3C=NC=C[N+]3(N)C(c3ccc4ccc(Nc5ccccc5)nc4c3)=N2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 4/20 0.34
PIK3CA P42336 4/20 0.34
ACVRL1 P37023 1/20 0.33
ABL1 P00519 1/20 0.33
MAPK8 P45983 3/20 0.33
MAPK10 P53779 3/20 0.33
TNK2 Q07912 1/20 0.32
GSK3B P49841 1/20 0.31
PIK3CD O00329 1/20 0.31
PIP5K1B O14986 1/20 0.31
PDGFRB P09619 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PDK1 Q15118 1/20 0.31
PIP5K1A Q99755 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
MAPK14 Q16539 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL400875 0.92 IGF1R (0.34) ACVRL1ABL1IGF1RDGAT1
SCHEMBL399502 0.88 IGF1R (0.38) TNK2GSK3BIGF1RVCP
SCHEMBL397652 0.86 TNK2 (0.38) ABL1TNK2IGF1R
SCHEMBL400461 0.86 DGAT1 (0.32) DGAT1
SCHEMBL401178 0.85 HPGD (0.34) ABL1TNK2IGF1R
SCHEMBL401400 0.84 ABL1 (0.36) ABL1TNK2GSK3BNPC1RAB9A
SCHEMBL402077 0.84
SCHEMBL398014 0.82 HDAC3 (0.34) GSK3BMAPK14NPC1RAB9A
SCHEMBL400116 0.82 F2 (0.39) RAB9ADGAT1
SCHEMBL396314 0.82 JAK2 (0.39) TNK2PDGFRBNPC1RAB9AIGF1R

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 35 patents — showing the first 20. 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 claimed
US-8101613-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-01-24 US claimed
EP-2168968-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2010-03-31 EP claimed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US claimed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP claimed
US-20080299113-A1 Combined treatment with and composition of 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents OSI PHARMACEUTICALS, INC. 2008-12-04 US claimed
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP claimed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO claimed
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents OSI PHARMACEUTICALS, INC. 2008-01-17 US claimed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO claimed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US claimed
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-8575164-B2 Combination cancer therapy OSI Pharmaceuticals, LLC (US) 2013-11-05 US disclosed
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents OSI PHARMACEUTICALS, INC. 2008-01-17 US disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO 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 (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 PIP5K1C 351/4885PIK3CA 205/4885ACVRL1 3064/4885
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, IGFBP6, CDK6 PIP5K1C 242/4885PIK3CA 123/4885ACVRL1 1540/4885
US-20080299113-A1 Combined treatment with and composition of 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, EGFR, ERBB2 PIP5K1C 206/4885PIK3CA 33/4885ACVRL1 1004/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 PIP5K1C 351/4885PIK3CA 205/4885ACVRL1 3064/4885

“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.