SCHEMBL7910093

SCHEMBL7910093

Cc1cc(C#N)c(C)c(C(=O)Nc2ccc(C#N)cn2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DEGS1 O15121 1/20 0.44
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
FGFR4 P22455 2/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
GRM5 P41594 1/20 0.41
DYRK3 O43781 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40
LRRK2 Q5S007 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL7910099 0.89 RAB9A (0.48) MEN1KMT2AHCRTR1GRM5
SCHEMBL7910092 0.87 RAB9A (0.50) TMPRSS4MEN1KMT2AGRM5
SCHEMBL7910087 0.87 GRM5 (0.53) GRM5
SCHEMBL13148116 0.84 TMPRSS4 (0.46) TMPRSS4MEN1KMT2ADEGS1HCRTR1
SCHEMBL7904713 0.79 TMPRSS4 (0.55) TMPRSS4MEN1KMT2ADEGS1SIRT2
SCHEMBL7900421 0.79 GRM5 (0.48) GRM5LRRK2
SCHEMBL3793552 0.76 GRM5 (0.58) GRM5LRRK2
SCHEMBL13148044 0.74 TMPRSS4 (0.50) TMPRSS4MEN1KMT2ADEGS1SIRT2
SCHEMBL3715011 0.73 MEN1 (0.58) TMPRSS4MEN1KMT2ADEGS1HCRTR1
SCHEMBL1792869 0.73 GRM5 (0.53) TMPRSS4GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 TMPRSS4 2550/4885MEN1 3737/4885KMT2A 652/4885

“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.