SCHEMBL973105

SCHEMBL973105

CCOC(=O)C1=C(C(C)OC)NC2=C(C(=O)CC(C)(C)C2)C1C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 14/20 0.43
ALDH1A1 P00352 11/20 0.43
GAA P10253 7/20 0.43
CASP1 P29466 5/20 0.43
HSD17B10 Q99714 5/20 0.43
RECQL P46063 1/20 0.43
CASP7 P55210 4/20 0.42
HPGD P15428 4/20 0.42
GLA P06280 2/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
USP2 O75604 2/20 0.39

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
SCHEMBL6027547 0.85 NPSR1 (0.56) TSHRNPSR1MEN1KMT2AKDM4E
SCHEMBL6029208 0.84 NPSR1 (0.62) TSHRNPSR1MEN1KMT2AKDM4E
SCHEMBL5815739 0.83 TSHR (0.61) TSHRNPSR1MEN1KMT2AKDM4E
SCHEMBL5816033 0.79 KDM4E (0.58) TSHRNPSR1MEN1KMT2AKDM4E
SCHEMBL972797 0.78 NOTCH1 (0.42) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL5821977 0.77 NPSR1 (0.53) TSHRNPSR1MEN1KMT2AKDM4E
SCHEMBL971430 0.77 NOTCH1 (0.41) MEN1KMT2AALDH1A1CASP1HSD17B10
SCHEMBL6027927 0.76 TSHR (0.50) TSHRNPSR1MEN1KMT2AKDM4E
SCHEMBL5820315 0.76 NPSR1 (0.55) TSHRNPSR1MEN1KMT2AKDM4E
SCHEMBL6027988 0.76 TSHR (0.52) TSHRNPSR1MEN1KMT2AKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2268644-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2011-01-05 EP disclosed
WO-2009109549-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-11 WO disclosed
WO-2009109549-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-11 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 (1 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-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation COQ8A, TNNT2, TBXA2R TSHR 1698/4885NPSR1 555/4885MEN1 1597/4885

“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.