SCHEMBL971489

SCHEMBL971489

COC(C)C(=O)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
AHR P35869 1/20 0.33
CYP26A1 O43174 2/20 0.33
ALDH1A1 P00352 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 1/20 0.31
CYP24A1 Q07973 1/20 0.31

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
SCHEMBL2143878 0.80 TBXAS1 (0.37) TBXAS1FAAHMGLLAHRALDH1A1
SCHEMBL9592876 0.80 TBXAS1 (0.33) TBXAS1HTTFAAHMGLLAHR
SCHEMBL10020850 0.78 KMT2A (0.41) TBXAS1HTTKMT2AAHRALDH1A1
SCHEMBL13587345 0.78 TBXAS1 (0.40) TBXAS1FAAHMGLLAHRALDH1A1
SCHEMBL18775172 0.78 TBXAS1 (0.40) TBXAS1FAAHMGLLAHRALDH1A1
SCHEMBL13448304 0.77 HTT (0.36) TBXAS1HTTKMT2AFAAHMGLL
SCHEMBL28882573 0.77 TBXAS1 (0.35) TBXAS1FAAHMGLLAHRALDH1A1
SCHEMBL11599993 0.77 SMYD3 (0.38) TBXAS1FAAHMGLLAHRALDH1A1
SCHEMBL8532374 0.77 SMYD3 (0.38) TBXAS1FAAHMGLLAHRALDH1A1
SCHEMBL13102843 0.75 ALDH1A1 (0.42) TBXAS1FAAHMGLLALDH1A1

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 5 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
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
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

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 TBXAS1 132/4885HTT 2871/4885KMT2A 3854/4885

“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.