SCHEMBL16804392

SCHEMBL16804392

COC(=O)c1ccc(Cn2ccc3c(C4CCN(C(=O)C(C)(C)F)CC4)ccnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.43
CNR2 P34972 2/20 0.41
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
CYP3A4 P08684 1/20 0.38
RBP4 P02753 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
KDM4E B2RXH2 1/20 0.37
YTHDC1 Q96MU7 1/20 0.36
CYP11B2 P19099 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 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
SCHEMBL16804166 0.90 HDAC6 (0.43) MAPK7FGFR1FGFR4
SCHEMBL18109036 0.89 MAPT (0.44) OPRD1OPRK1
SCHEMBL16804222 0.89 CNR2 (0.41) MAPK7CNR2OPRD1OPRK1CYP3A4
SCHEMBL18852715 0.87 CHKA (0.43) CNR2OPRD1OPRK1CYP3A4FGFR1
SCHEMBL16804352 0.87 KDM4E (0.41) CNR2OPRD1OPRK1CYP3A4KDM4E
SCHEMBL16804320 0.86 KDM4E (0.41) CNR2OPRD1OPRK1CYP3A4FGFR1
SCHEMBL18108875 0.84 MEN1 (0.41) CNR2OPRD1OPRK1FGFR1FGFR4
SCHEMBL16804416 0.84 KDM4E (0.39) CNR2OPRD1OPRK1CYP3A4KDM4E
SCHEMBL16804247 0.83 CNR2 (0.41) CNR2OPRD1OPRK1CYP3A4FGFR1
SCHEMBL16804343 0.83 RBP4 (0.45) MAPK7OPRD1OPRK1CYP3A4RBP4

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 MAPK7 2730/4885CNR2 2197/4885OPRD1 3803/4885

“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.