SCHEMBL972055

SCHEMBL972055

COC(C)C1=C(C(=O)c2ccc(C(F)(F)F)cc2)C(C2CCOCC2)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.39
NOTCH1 P46531 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 2/20 0.34
CETP P11597 5/20 0.34
CASP1 P29466 4/20 0.34
CASP7 P55210 4/20 0.34
HSD17B10 Q99714 4/20 0.34
GLA P06280 3/20 0.34
KLK7 P49862 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 5/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL971430 0.92 NOTCH1 (0.41) GSK3ANOTCH1MEN1KMT2AALDH1A1
SCHEMBL972797 0.91 NOTCH1 (0.42) GSK3ANOTCH1MEN1KMT2AALDH1A1
SCHEMBL972077 0.84 GSK3A (0.44) GSK3ANOTCH1MEN1KMT2AALDH1A1
SCHEMBL711884 0.83 CETP (0.43) GSK3ANOTCH1MEN1KMT2AALDH1A1
SCHEMBL973087 0.82 NOTCH1 (0.47) GSK3ANOTCH1MEN1KMT2AALDH1A1
SCHEMBL4579478 0.82 CETP (0.44) GSK3ANOTCH1MEN1KMT2AGSK3B
SCHEMBL972402 0.81 CETP (0.48) NOTCH1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL970677 0.80 GSK3A (0.49) GSK3ANOTCH1MEN1KMT2AALDH1A1
SCHEMBL971304 0.76 NOTCH1 (0.43) GSK3ANOTCH1MEN1KMT2AALDH1A1
SCHEMBL4578818 0.75 CETP (0.44) GSK3ANOTCH1MEN1KMT2ACETP

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 9 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
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 GSK3A 2115/4885NOTCH1 4727/4885MEN1 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.