SCHEMBL16804384

SCHEMBL16804384

COC(=O)c1ccc(Cn2ccc3cc(N4CCC5(CC4)CNC5)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.46
▸ EPHX2 P34913 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ OPRD1 P41143 3/20 0.40
▸ OPRK1 P41145 3/20 0.40
▸ YTHDC1 Q96MU7 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ USP7 Q93009 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CDK9 P50750 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
Hydrochloric Acid SCHEMBL18109061 0.99 METAP2 (0.46) METAP2EPHX2LMNAOPRD1OPRK1
SCHEMBL16804221 0.95 METAP2 (0.44) METAP2EPHX2LMNAOPRD1OPRK1
SCHEMBL16804195 0.89 METAP2 (0.45) METAP2EPHX2LMNAYTHDC1CYP11B2
SCHEMBL16804469 0.86 METAP2 (0.45) METAP2EPHX2LMNAOPRD1OPRK1
SCHEMBL18109072 0.86 METAP2 (0.54) METAP2LMNAMEN1KMT2A
SCHEMBL16804373 0.85 STAT6 (0.46) METAP2MEN1MAPTKMT2AGAA
SCHEMBL18108839 0.85 METAP2 (0.42) METAP2OPRD1OPRK1CYP11B2HTT
SCHEMBL18108942 0.84 CYP11B2 (0.44) METAP2OPRD1OPRK1CYP11B2
SCHEMBL16804404 0.84 METAP2 (0.44) METAP2EPHX2LMNAYTHDC1CYP11B2
SCHEMBL16804383 0.84 METAP2 (0.43) METAP2OPRD1OPRK1MAPTCCR5

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 METAP2 3805/4885EPHX2 1410/4885LMNA 2875/4885

“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.

Send feedback