SCHEMBL399781

SCHEMBL399781

O=C(OCc1ccccc1)N1CCC(C2=C3C=NC=C[N+]3(Cl)C(c3ccc4ccc(-c5ccccc5)nc4c3)=N2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.40
TRPC7 Q9HCX4 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRIN2B Q13224 3/20 0.37
CYP2C19 P33261 1/20 0.37
ENPP2 Q13822 5/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
P2RY12 Q9H244 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRMT5 O14744 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
SCHEMBL437978 0.91 IGF1R (0.36) TRPC3TRPC7ENPP2P2RY12
SCHEMBL400338 0.91 SMN1; SMN2 (0.39) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL398836 0.88 GRIN2B (0.43) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL3903709 0.88 TRPC3 (0.40) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL3900330 0.82 SMN1; SMN2 (0.39) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL400428 0.81 GRIN2B (0.44) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL594302 0.80 SMN1; SMN2 (0.47) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL399952 0.80 IGF1R (0.36) KDM4EALDH1A1HPGD
SCHEMBL397478 0.80 IGF1R (0.32) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL400157 0.79 NPC1 (0.33) NPC1RAB9A

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 TRPC3 2466/4885TRPC7 2437/4885SMN1; SMN2 2622/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TRPC3 2466/4885TRPC7 2437/4885SMN1; SMN2 2622/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TRPC3 2466/4885TRPC7 2437/4885SMN1; SMN2 2622/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TRPC3 2466/4885TRPC7 2437/4885SMN1; SMN2 2622/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TRPC3 2466/4885TRPC7 2437/4885SMN1; SMN2 2622/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 TRPC3 2466/4885TRPC7 2437/4885SMN1; 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.