SCHEMBL16804330

SCHEMBL16804330

COC(=O)c1ccc(Cn2ccc3cc(C4=CCN(Cc5ccccn5)CC4)cnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
JAK1 P23458 1/20 0.38
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
DRD4 P21917 2/20 0.37
HTR1A P08908 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL16804336 0.87 MEN1 (0.46) CCNT1CDK9EGLN1HTR1A
SCHEMBL16804214 0.85 EGLN1 (0.39) CCNT1CDK9EGLN1OPRD1OPRK1
SCHEMBL16804360 0.84 CHKA (0.40) EGLN1OPRD1OPRK1
SCHEMBL18108876 0.84 EGLN1 (0.38) EGLN1OPRD1OPRK1ALDH1A1
SCHEMBL16804274 0.83 NLRP3 (0.40) EGLN1AGTR1KDM4EALDH1A1
SCHEMBL16804414 0.81 METAP2 (0.42) OPRD1OPRK1ALDH1A1
SCHEMBL16804364 0.80 LMNA (0.46)
SCHEMBL16804334 0.79 CYP11B2 (0.43) JAK1
SCHEMBL16804246 0.78 LMNA (0.41) CDK9
SCHEMBL16804257 0.78 CYP11B2 (0.43) OPRD1OPRK1KDM4EALDH1A1

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 4 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-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 CCNT1 2048/4885CDK9 183/4885EGLN1 1240/4885

“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.