SCHEMBL16804334

SCHEMBL16804334

COC(=O)c1ccc(Cn2ccc3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.43
WNT3A P56704 1/20 0.43
KIT P10721 2/20 0.42
PDE4B Q07343 1/20 0.42
GRM1 Q13255 7/20 0.41
GRM5 P41594 6/20 0.41
NAMPT P43490 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
JAK1 P23458 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
SCHEMBL18108872 0.91 HDAC1 (0.44) CYP11B2WNT3AKITPDE4BGRM1
SCHEMBL18108924 0.87 KIT (0.43) CYP11B2WNT3AKITPDE4BGRM1
SCHEMBL16804214 0.86 EGLN1 (0.39) CYP11B2
SCHEMBL16804360 0.86 CHKA (0.40) CYP11B2WNT3A
SCHEMBL18108876 0.85 EGLN1 (0.38) CYP11B2HDAC1HDAC6
SCHEMBL16804344 0.84 GRM1 (0.45) WNT3AGRM1GRM5NAMPTHDAC1
SCHEMBL16804402 0.84 WNT3A (0.46) WNT3AKITGRM1GRM5HDAC1
SCHEMBL16804312 0.84 WNT3A (0.46) WNT3AKITGRM1GRM5HDAC1
SCHEMBL16804305 0.82 TNK2 (0.44) WNT3AGRM1GRM5HDAC1HDAC6
SCHEMBL16804336 0.82 MEN1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080125-B1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-10-10 EP 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-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
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 2874/4885WNT3A 1628/4885KIT 1735/4885

“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.