SCHEMBL397803

SCHEMBL397803

NC(c1ccc2cccnc2c1)c1nccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.49
CASP6 P55212 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CASP1 P29466 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
OGA O60502 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TRPM8 Q7Z2W7 8/20 0.37
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL401341 0.83 NR4A2 (0.49) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL398011 0.80 IGF1R (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL399812 0.79 CYP3A4 (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL397182 0.75 NR4A2 (0.40) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL400386 0.73 TLR9 (0.45) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2462519 0.73 DPP4 (0.38) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL2461506 0.72 S1PR1 (0.38) ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4143072 0.72 DPP4 (0.37) ALDH1A1
SCHEMBL2463510 0.71 CTSA (0.36) ALDH1A1
SCHEMBL17541523 0.70 ALDH1A1 (0.55) NR4A2CASP6ALDH1A1CASP1HTT

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 44 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
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed
CN-102924458-B 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2014-11-05 CN disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US 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-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-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP 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-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 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
CN-1960993-A 6, 6-bicyclic substituted heterobicyclic protein kinase inhibitors OSI PHARM INC (US) 2007-05-09 CN 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 (3 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-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 NR4A2 1300/4885CASP6 713/4885ALDH1A1 3941/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 NR4A2 1300/4885CASP6 713/4885ALDH1A1 3941/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 NR4A2 1300/4885CASP6 713/4885ALDH1A1 3941/4885

“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.