SCHEMBL16804435

SCHEMBL16804435

COC(=O)c1ccc(Cn2ccc3cc(N4C[C@@H](C)N(Cc5cccnc5)[C@@H](C)C4)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90B1 P14625 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ HIF1A Q16665 4/20 0.38
▸ EPAS1 Q99814 4/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL16804179 0.90 HDAC1 (0.47) HIF1AEPAS1
SCHEMBL20525462 0.89 POLB (0.41) POLBMAPTPTK2CYP3A4SMN1; SMN2
SCHEMBL16804472 0.89 METAP2 (0.39) METAP2EPHX2
SCHEMBL16804434 0.88 METAP2 (0.42) MAPTKDM4EMETAP2EPHX2MAPK1
SCHEMBL16804338 0.88 METAP2 (0.44) HSP90AA1HSP90B1MAPTMETAP2EPHX2
SCHEMBL18852711 0.87 METAP2 (0.41) MAPTCYP3A4KDM4EMETAP2EPHX2
SCHEMBL16804342 0.84 METAP2 (0.39) MAPTCYP3A4KDM4EMETAP2EPHX2
SCHEMBL16804322 0.84 METAP2 (0.40) MAPTCYP3A4SMN1; SMN2KDM4EMETAP2
SCHEMBL16804228 0.82 METAP2 (0.42) METAP2EPHX2
SCHEMBL16804310 0.82 PDE1B (0.45) KDM4EMETAP2EPHX2MAPK1

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 POLB 2823/4885HSP90AA1 827/4885HSP90B1 2509/4885

“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.

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