SCHEMBL16804228

SCHEMBL16804228

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ FGFR1 P11362 4/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ TNK2 Q07912 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ MAP3K11 Q16584 1/20 0.38
▸ DDR2 Q16832 1/20 0.38
▸ MARK2 Q7KZI7 1/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ EIF2AK1 Q9BQI3 1/20 0.38

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
SCHEMBL16804310 0.89 PDE1B (0.45) METAP2EPHX2YTHDC1LMNACYP11B2
SCHEMBL18852711 0.86 METAP2 (0.41) METAP2EPHX2YTHDC1LMNACYP11B2
SCHEMBL16804404 0.86 METAP2 (0.44) METAP2EPHX2YTHDC1LMNACYP11B2
SCHEMBL16804195 0.85 METAP2 (0.45) METAP2EPHX2YTHDC1LMNACYP11B2
SCHEMBL16804342 0.84 METAP2 (0.39) METAP2EPHX2YTHDC1LMNACYP11B2
SCHEMBL16804472 0.84 METAP2 (0.39) METAP2EPHX2YTHDC1LMNACYP11B2
SCHEMBL16804322 0.83 METAP2 (0.40) METAP2EPHX2YTHDC1LMNAFGFR1
SCHEMBL16804373 0.83 STAT6 (0.46) METAP2NTRK1GAA
SCHEMBL16804435 0.82 POLB (0.40) METAP2EPHX2
SCHEMBL16804384 0.81 METAP2 (0.46) METAP2EPHX2YTHDC1LMNACYP11B2

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 7 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-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 METAP2 3805/4885EPHX2 1410/4885YTHDC1 3413/4885

“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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