SCHEMBL836826

SCHEMBL836826

CNC(=O)c1cccc(-c2cn[nH]c(=O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.57
CRBN Q96SW2 1/20 0.50
CYP17A1 P05093 1/20 0.46
CYP3A4 P08684 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CDK7 P50613 1/20 0.45
PDK2 Q15119 1/20 0.44
TAF1 P21675 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
FGFR1 P11362 1/20 0.43
FGFR3 P22607 1/20 0.43
LRRK2 Q5S007 1/20 0.43
FYN P06241 1/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
PIK3CG P48736 1/20 0.42
NR4A2 P43354 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3645370 0.93 CDK8 (0.51) CDK8CRBNCYP17A1CYP3A4HDAC8
SCHEMBL9949385 0.83 CDK8 (0.57) CDK8PDK2
SCHEMBL3645569 0.83 CDK8 (0.43) CDK8CRBNCYP17A1CYP3A4CDK7
SCHEMBL13702375 0.80 HDAC8 (0.68) CDK8CRBNCYP17A1CYP3A4HDAC8
SCHEMBL12319279 0.77 PLK1 (0.39) CDK8HDAC8HDAC6LRRK2ROCK2
SCHEMBL13702359 0.75 CRBN (0.56) CDK8CRBNCYP17A1CYP3A4HDAC8
SCHEMBL723332 0.75 HDAC8 (0.70) CDK8CRBNHDAC8HDAC6PDK2
SCHEMBL5562512 0.74 NOTUM (0.47) FYN
SCHEMBL9056834 0.74 CRBN (0.61) CDK8CRBNCYP17A1CYP3A4HDAC8
SCHEMBL3037788 0.74 HDAC8 (0.82) CDK8CRBNHDAC8HDAC6PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101765442-B Organic compounds NOVARTIS AG 2014-09-17 CN disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 CDK8 1828/4885CRBN 2482/4885CYP17A1 1381/4885

“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.