SCHEMBL16136366

SCHEMBL16136366

CC(=O)NCc1nccn1Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
HSP90B1 P14625 1/20 0.53
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.45
HTT P42858 4/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL16136363 0.87 LMNA (0.51) HSP90AA1HSP90B1KMT2AHTTALDH1A1
SCHEMBL16133638 0.87 HSP90AA1 (0.50) HSP90AA1HSP90B1PKMKMT2ARECQL
SCHEMBL16136367 0.84 HTT (0.40) HSP90AA1HSP90B1HTTLMNATSHR
SCHEMBL16136364 0.81 HSP90B1 (0.52) HSP90AA1HSP90B1LMNAHPGDSMN1; SMN2
SCHEMBL16136331 0.81 SMN1; SMN2 (0.51) HSP90AA1HSP90B1LMNATP53MAPT
SCHEMBL16136235 0.81 BRD4 (0.47) HSP90AA1HSP90B1LMNAKDM4EHDAC1
SCHEMBL45843 0.78 RECQL (0.70) PKMKMT2ARECQLHTTALDH1A1
SCHEMBL16136298 0.78 HSP90B1 (0.55) HSP90AA1HSP90B1KMT2AMMP13TP53
SCHEMBL16136301 0.77 HSP90AA1 (0.51) HSP90AA1HSP90B1ALDH1A1KDM4EHDAC3
SCHEMBL16136339 0.75 HSP90AA1 (0.54) HSP90AA1HSP90B1PKMKMT2AALDH1A1

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 HSP90AA1 4223/4885HSP90B1 2912/4885PKM 1877/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885PKM 1877/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885PKM 1877/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885PKM 1877/4885

“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.