SCHEMBL836582

SCHEMBL836582

CNC(=O)c1cccc(C2=CC(N)NN=C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAP4K4 O95819 1/20 0.41
CRBN Q96SW2 1/20 0.41
LRRK2 Q5S007 2/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 1/20 0.39
TAF1 P21675 1/20 0.38
FYN P06241 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.37
NR4A2 P43354 1/20 0.37
TTK P33981 1/20 0.37
SLC7A5 Q01650 1/20 0.37
PDK2 Q15119 1/20 0.37
KDM5A P29375 1/20 0.36

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
SCHEMBL3505502 0.78 FGFR1 (0.38) CDK8LRRK2FYNPIP5K1CPIK3CA
SCHEMBL3645569 0.74 CDK8 (0.43) CDK8CRBNLRRK2BRD4CREBBP
SCHEMBL13702375 0.72 HDAC8 (0.68) CDK8HDAC8HDAC6MAP4K4CRBN
SCHEMBL723332 0.68 HDAC8 (0.70) CDK8HDAC8HDAC6CRBNPDK2
SCHEMBL5909363 0.67 HDAC8 (0.83) CDK8HDAC8HDAC6CREBBPSLC7A5
SCHEMBL9056834 0.67 CRBN (0.61) CDK8HDAC8HDAC6CRBNCYP17A1
SCHEMBL3037788 0.67 HDAC8 (0.82) CDK8HDAC8HDAC6MAP4K4CRBN
SCHEMBL30262680 0.65 HDAC8 (0.53) CDK8HDAC8HDAC6MAP4K4CRBN
SCHEMBL3617485 0.65 CRBN (0.56) CDK8HDAC8HDAC6CRBNCYP17A1
SCHEMBL14210412 0.65 CRBN (0.58) CDK8HDAC8HDAC6CRBNCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188285-A1 PYRAZOLOQUINOLINE AND PYRAZOLONAPHTHYRIDINE DERIVATIVES AS GABA ALPHA LIGANDS Novartis Ag (CH) 2010-05-26 EP claimed
WO-2009021961-A1 PYRAZOLOQUINOLINE AND PYRAZOLONAPHTHYRIDINE DERIVATIVES AS GABA ALPHA LIGANDS NOVARTIS AG (CH) 2009-02-19 WO claimed
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
CN-101765442-A organic compounds NOVARTIS AG 2010-06-30 CN 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 1828/4885HDAC8 3212/4885HDAC6 3986/4885

“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.