Sugi Predict

Sugi Predict / Compounds / SCHEMBL401581

SCHEMBL401581

SCHEMBL401581

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.37
▸ PIK3CA P42336 7/20 0.34
▸ MTOR P42345 4/20 0.34
▸ IGF1R P08069 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ TLR9 Q9NR96 4/20 0.33
▸ TLR8 Q9NR97 4/20 0.33
▸ TLR7 Q9NYK1 4/20 0.33
▸ KDR P35968 4/20 0.33
▸ PIK3CB P42338 4/20 0.33
▸ P2RY12 Q9H244 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CG P48736 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
SCHEMBL398046 0.90 PDE10A (0.35) IGF1RCYP3A4KDRMAPK11
SCHEMBL401369 0.88 TNK2 (0.34) TNK2PIK3CAMTORIGF1RCYP3A4
SCHEMBL403041 0.87 JUN (0.35) MTORIGF1RP2RY12
SCHEMBL400338 0.85 SMN1; SMN2 (0.39) P2RY12ENPP2
SCHEMBL396641 0.84 IGF1R (0.41) TNK2IGF1RCYP3A4KDRMAPK11
SCHEMBL4360394 0.84 TNK2 (0.48) TNK2MAPK11MAPK14
SCHEMBL397966 0.83 IGF1R (0.41) IGF1RCYP3A4KDRMAPK11
SCHEMBL397230 0.83 IGF1R (0.46) TNK2IGF1RCYP3A4KDRMAPK11
SCHEMBL400618 0.82 IGF1R (0.47) TNK2IGF1RCYP3A4KDRMAPK11
SCHEMBL402225 0.82 IGF1R (0.33) IGF1RCYP3A4KDRMAPK11

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 14 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
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
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
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 (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 TNK2 405/4885PIK3CA 205/4885MTOR 164/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TNK2 405/4885PIK3CA 205/4885MTOR 164/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TNK2 405/4885PIK3CA 205/4885MTOR 164/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TNK2 405/4885PIK3CA 205/4885MTOR 164/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TNK2 405/4885PIK3CA 205/4885MTOR 164/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 TNK2 405/4885PIK3CA 205/4885MTOR 164/4885

“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.