SCHEMBL972401

SCHEMBL972401

COC(C)C1=C(C(=O)c2ccc(C(F)(F)F)cc2)C(C2CCN(C(=O)O)C(Cc3ccccc3)C2)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.37
CETP P11597 2/20 0.33
TACR3 P29371 1/20 0.33
GSK3A P49840 1/20 0.33
NOTCH1 P46531 2/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
MTNR1B P49286 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL972402 0.84 CETP (0.48) CETPNOTCH1MEN1KMT2AHSD17B10
SCHEMBL971430 0.81 NOTCH1 (0.41) CETPGSK3ANOTCH1MEN1CASP1
SCHEMBL972797 0.80 NOTCH1 (0.42) CETPGSK3ANOTCH1MEN1CASP1
SCHEMBL972055 0.79 GSK3A (0.39) CETPGSK3ANOTCH1MEN1HPGD
SCHEMBL973054 0.75 CETP (0.43) TACR1CETP
SCHEMBL972077 0.75 GSK3A (0.44) CETPGSK3ANOTCH1EGFRERBB2
SCHEMBL973087 0.73 NOTCH1 (0.47) GSK3ANOTCH1EGFRERBB2PDGFRB
SCHEMBL711884 0.72 CETP (0.43) CETPGSK3ANOTCH1MEN1KMT2A
SCHEMBL4579478 0.72 CETP (0.44) CETPGSK3ANOTCH1MEN1KMT2A
SCHEMBL970677 0.72 GSK3A (0.49) GSK3ANOTCH1EGFRERBB2PDGFRB

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 3 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

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 TACR1 560/4885CETP 1170/4885TACR3 2938/4885

“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.