SCHEMBL16136339

SCHEMBL16136339

CC(=O)NCc1nccn1Cc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.54
HSP90B1 P14625 6/20 0.54
ADRA2C P18825 1/20 0.51
TP53 P04637 2/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.45
MAP3K14 Q99558 1/20 0.45
ALDH1A1 P00352 1/20 0.45
BRD4 O60885 1/20 0.45
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TNF P01375 1/20 0.43

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
SCHEMBL16136365 0.88 HSP90AA1 (0.58) HSP90AA1HSP90B1ADRA2CTP53CYP1A2
SCHEMBL16133634 0.87 HSP90AA1 (0.52) HSP90AA1HSP90B1ADRA2CTP53CYP1A2
SCHEMBL16136363 0.84 LMNA (0.51) HSP90AA1HSP90B1TP53LMNAALDH1A1
SCHEMBL16136364 0.81 HSP90B1 (0.52) HSP90AA1HSP90B1CYP1A2CYP2C19LMNA
SCHEMBL16136301 0.80 HSP90AA1 (0.51) HSP90AA1HSP90B1ADRA2CCYP1A2NPC1
SCHEMBL16136367 0.79 HTT (0.40) HSP90AA1HSP90B1ADRA2CLMNASMN1; SMN2
SCHEMBL16064992 0.79 HSP90AA1 (0.56) HSP90AA1HSP90B1ADRA2CTP53NPC1
SCHEMBL16136235 0.78 BRD4 (0.47) HSP90AA1HSP90B1TP53LMNABRD4
SCHEMBL16136331 0.78 SMN1; SMN2 (0.51) HSP90AA1HSP90B1ADRA2CTP53NPC1
SCHEMBL16133643 0.78 HSP90AA1 (0.55) HSP90AA1HSP90B1ADRA2CTP53LMNA

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 2912/4885ADRA2C 798/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885ADRA2C 798/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885ADRA2C 798/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885ADRA2C 798/4885

“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.