SCHEMBL2192108

SCHEMBL2192108

COc1nc(C)cc2c(Br)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1I3 Q14994 2/20 0.37
CYP3A4 P08684 1/20 0.37
VDR P11473 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
AHR P35869 1/20 0.37
CRHR1 P34998 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2187582 0.83 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19MAPTNR1I3
SCHEMBL18854448 0.82 PKM (0.42) ALDH1A1CYP1A2LMNAMAPTSMN1; SMN2
SCHEMBL160724 0.81 NR1I3 (0.41) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL12507656 0.81 CYP1A2 (0.44) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL12416620 0.78 MAPT (0.42) ALDH1A1CYP1A2LMNAMAPTSMN1; SMN2
SCHEMBL15366519 0.77 PDE5A (0.46) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL12507822 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL12416738 0.77 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL15366499 0.75 NR4A2 (0.41) ALDH1A1CYP1A2MAPTSMN1; SMN2CRHR1
SCHEMBL31399682 0.75 NR4A2 (0.41) ALDH1A1CYP1A2MAPTSMN1; SMN2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
WO-2010030722-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-03-18 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-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 ALDH1A1 4625/4885CYP1A2 1996/4885CYP2C19 2134/4885

“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.