SCHEMBL663100

SCHEMBL663100

CCOC(=O)c1c(O)nc2c(c1O)C(=O)CC1(CCCC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTR1A P08908 1/20 0.33
BRD4 O60885 1/20 0.33
HPGD P15428 2/20 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
SCHEMBL661613 0.98 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL662361 0.88 LMNA (0.44) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL662235 0.86 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL662261 0.86 LMNA (0.44) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL664476 0.84 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL663927 0.84 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL664833 0.79 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL661616 0.77 LMNA (0.42) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL663819 0.77 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL662748 0.76 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
EP-2675811-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2013-12-25 EP disclosed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
EP-2536733-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2012-12-26 EP disclosed
WO-2012110599-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 WO disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 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 (2 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-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation CETP, MTTP, CES1 CYP1A2 370/4885CYP2C9 514/4885CYP2C19 361/4885
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION CETP, MTTP, CES1 CYP1A2 370/4885CYP2C9 514/4885CYP2C19 361/4885

“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.