SCHEMBL16136363

SCHEMBL16136363

CC(=O)NCc1nccn1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 1/20 0.50
HSP90B1 P14625 1/20 0.50
FDPS P14324 1/20 0.49
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL16136367 0.89 HTT (0.40) LMNAHSP90AA1HSP90AB1HSP90B1HTT
SCHEMBL16136331 0.88 SMN1; SMN2 (0.51) LMNAHSP90AA1HSP90B1AGTR1AGTR2
SCHEMBL16136364 0.88 HSP90B1 (0.52) LMNAHSP90AA1HSP90B1HPGD
SCHEMBL16136235 0.87 BRD4 (0.47) LMNAHSP90AA1HSP90AB1HSP90B1EGLN1
SCHEMBL16136366 0.87 HSP90AA1 (0.53) LMNAHSP90AA1HSP90B1HPGDHTT
SCHEMBL16136314 0.86 HSP90AA1 (0.54) LMNAHSP90AA1HSP90AB1HSP90B1POLB
SCHEMBL19413179 0.86 ADRA2C (0.50) HSP90AA1HSP90AB1HSP90B1FDPSPOLB
SCHEMBL16064998 0.86 ALDH1A1 (0.53) LMNAHSP90AA1HSP90AB1HSP90B1FDPS
SCHEMBL16133627 0.85 MEN1 (0.50) HSP90AA1HSP90AB1HSP90B1FDPSPOLB
SCHEMBL16136339 0.84 HSP90AA1 (0.54) LMNAHSP90AA1HSP90B1HPGDMEN1

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-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 US disclosed
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 US disclosed
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 US disclosed
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-10-02 US 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 (4 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 LMNA 2821/4885HSP90AA1 4223/4885HSP90AB1 3898/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 LMNA 2821/4885HSP90AA1 4223/4885HSP90AB1 3898/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 LMNA 2821/4885HSP90AA1 4223/4885HSP90AB1 3898/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 LMNA 2821/4885HSP90AA1 4223/4885HSP90AB1 3898/4885

“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.