SCHEMBL400428

SCHEMBL400428

N[N+]12C=CN=CC1=C(CC1CCN(C(=O)OCc3ccccc3)CC1)N=C2c1ccc2ccc(-c3ccccc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.44
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ACP1 P24666 1/20 0.36
ENPP2 Q13822 3/20 0.36
CYP3A4 P08684 3/20 0.36
FAAH O00519 1/20 0.36
P2RY12 Q9H244 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
SCHEMBL398836 0.91 GRIN2B (0.43) GRIN2BCYP2D6CYP2C9SMN1; SMN2CYP2C19
SCHEMBL398344 0.89 ACP1 (0.40) ACP1
SCHEMBL400338 0.89 SMN1; SMN2 (0.39) GRIN2BCYP2D6CYP2C9SMN1; SMN2CYP2C19
SCHEMBL396480 0.87 BTK (0.35) RAB9AACP1FAAH
SCHEMBL402711 0.86 ACACB (0.37) CYP2D6SMN1; SMN2CYP2C19ACP1CYP3A4
SCHEMBL401369 0.86 TNK2 (0.34) ACP1CYP3A4
SCHEMBL401671 0.85 ACP1 (0.35) ACP1FAAHP2RY12
SCHEMBL3047394 0.83 ACP1 (0.42) SMN1; SMN2ACP1CYP3A4
SCHEMBL399702 0.83 ACP1 (0.39) ACP1CYP3A4
SCHEMBL3900330 0.83 SMN1; SMN2 (0.39) GRIN2BCYP2D6CYP2C9SMN1; SMN2CYP2C19

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 22 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 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
WO-2009091939-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. (US) 2009-07-23 WO 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 GRIN2B 1809/4885CYP2D6 467/4885CYP2C9 2313/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 GRIN2B 1809/4885CYP2D6 467/4885CYP2C9 2313/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 GRIN2B 1809/4885CYP2D6 467/4885CYP2C9 2313/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 GRIN2B 1809/4885CYP2D6 467/4885CYP2C9 2313/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 GRIN2B 1809/4885CYP2D6 467/4885CYP2C9 2313/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 GRIN2B 1809/4885CYP2D6 467/4885CYP2C9 2313/4885

“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.