SCHEMBL16804239

SCHEMBL16804239

COC(=O)c1ccc(Cn2ccc3cc(-c4cncnc4)cnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.44
YTHDC1 Q96MU7 1/20 0.44
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
LMNA P02545 1/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
BRD4 O60885 1/20 0.39
NEK1 Q96PY6 1/20 0.39
GLO1 Q04760 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL18108880 0.89 CYP19A1 (0.54) CYP11B2YTHDC1LMNAHDAC8HDAC6
SCHEMBL16804359 0.88 GLO1 (0.50) CYP11B2YTHDC1GLO1
SCHEMBL18108978 0.86 METAP2 (0.45) YTHDC1TLR7HDAC8HDAC6HDAC3
SCHEMBL18108852 0.86 HDAC6 (0.54) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL18126820 0.83 GAA (0.48) CYP11B2YTHDC1GAARAB9ATLR7
SCHEMBL16804263 0.82 FGFR1 (0.54) CYP11B2YTHDC1GAARAB9ALMNA
SCHEMBL18108898 0.82 METAP2 (0.43) CYP11B2YTHDC1RAB9ATLR7LMNA
SCHEMBL16804364 0.81 LMNA (0.46) CYP11B2YTHDC1GAARAB9ALMNA
SCHEMBL16804246 0.79 LMNA (0.41) CYP11B2YTHDC1GAARAB9ALMNA
SCHEMBL16804257 0.79 CYP11B2 (0.43) CYP11B2YTHDC1GAARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
WO-2015087151-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-06-18 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-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC5, HDAC1, HDAC2 CYP11B2 2874/4885YTHDC1 3413/4885GAA 350/4885

“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.