SCHEMBL17810015

SCHEMBL17810015

CNC(=O)c1cncc(-c2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.59
CHRNA7 P36544 1/20 0.59
SCN10A Q9Y5Y9 5/20 0.57
XDH P47989 3/20 0.54
KCNH2 Q12809 1/20 0.53
MKNK1 Q9BUB5 4/20 0.53
MKNK2 Q9HBH9 4/20 0.53
PTGS2 P35354 1/20 0.50
CDK7 P50613 1/20 0.49
SCN2A Q99250 1/20 0.48
RAF1 P04049 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PIK3CG P48736 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL23977180 0.86 SCN10A (0.67) CHRNA7SCN10AXDHMKNK1MKNK2
SCHEMBL8111416 0.83 HDAC1 (0.55) HDAC1CHRNA7SCN10AXDHKCNH2
SCHEMBL17806746 0.83 MKNK1 (0.52) HDAC1SCN10AXDHMKNK1MKNK2
SCHEMBL14210413 0.81 MMP13 (0.53) HDAC1MKNK1MKNK2CNR1
SCHEMBL12647206 0.80 MKNK1 (0.69) HDAC1CHRNA7SCN10AMKNK1MKNK2
SCHEMBL10274534 0.79 HCAR2 (0.62) MKNK1MKNK2PTGS2RAF1
SCHEMBL16574182 0.79 MMP13 (0.69) HDAC1MKNK1MKNK2CNR1
SCHEMBL5909485 0.78 RAF1 (0.53) MKNK1MKNK2PTGS2RAF1
SCHEMBL28019347 0.78 MKNK1 (0.51) SCN10AXDHMKNK1MKNK2CDK7
SCHEMBL6014132 0.77 MMP13 (0.67) XDHPTGS2RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 HDAC1 2/4885CHRNA7 2134/4885SCN10A 1197/4885

“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.