SCHEMBL16136365

SCHEMBL16136365

CC(=O)NCCc1nccn1Cc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.58
HSP90B1 P14625 11/20 0.58
TP53 P04637 2/20 0.47
BRD4 O60885 1/20 0.46
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.43
MAP3K14 Q99558 1/20 0.43
HSP90AB1 P08238 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 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
SCHEMBL16064992 0.88 HSP90AA1 (0.56) HSP90AA1HSP90B1TP53BRD4ADRA2C
SCHEMBL16136339 0.88 HSP90AA1 (0.54) HSP90AA1HSP90B1TP53BRD4ADRA2C
SCHEMBL16133643 0.87 HSP90AA1 (0.55) HSP90AA1HSP90B1TP53BRD4ADRA2C
SCHEMBL20625806 0.85 HSP90AA1 (0.53) HSP90AA1HSP90B1TP53BRD4ADRA2C
SCHEMBL16136314 0.85 HSP90AA1 (0.54) HSP90AA1HSP90B1LMNAHSP90AB1
SCHEMBL16768685 0.83 HSP90AA1 (0.50) HSP90AA1HSP90B1TP53BRD4ADRA2C
SCHEMBL16136332 0.81 HSP90B1 (0.55) HSP90AA1HSP90B1LMNAHSP90AB1SMN1; SMN2
SCHEMBL16136369 0.79 HSP90AA1 (0.48) HSP90AA1HSP90B1BRD4HSP90AB1NPC1
SCHEMBL16064990 0.79 HSP90B1 (0.54) HSP90AA1HSP90B1TP53LMNANPC1
SCHEMBL16133634 0.78 HSP90AA1 (0.52) HSP90AA1HSP90B1TP53BRD4ADRA2C

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 2912/4885TP53 32/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885TP53 32/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885TP53 32/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885TP53 32/4885

“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.