SCHEMBL16133643

SCHEMBL16133643

CC(C)(C)C(=O)NCCc1nccn1Cc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.55
HSP90B1 P14625 10/20 0.55
ALDH1A1 P00352 3/20 0.46
TP53 P04637 3/20 0.44
BRD4 O60885 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL20625806 0.91 HSP90AA1 (0.53) HSP90AA1HSP90B1ALDH1A1TP53BRD4
SCHEMBL16133634 0.89 HSP90AA1 (0.52) HSP90AA1HSP90B1ALDH1A1TP53BRD4
SCHEMBL19413280 0.88 HSP90AA1 (0.47) HSP90AA1HSP90B1TP53BRD4
SCHEMBL16136365 0.87 HSP90AA1 (0.58) HSP90AA1HSP90B1TP53BRD4LMNA
SCHEMBL16768685 0.87 HSP90AA1 (0.50) HSP90AA1HSP90B1TP53BRD4SMN1; SMN2
SCHEMBL16133631 0.86 POLB (0.52) HSP90AA1HSP90B1ALDH1A1POLB
SCHEMBL16064992 0.85 HSP90AA1 (0.56) HSP90AA1HSP90B1TP53BRD4LMNA
SCHEMBL16133646 0.83 HSP90B1 (0.53) HSP90AA1HSP90B1ALDH1A1TP53DRD2
SCHEMBL16133645 0.81 HSP90B1 (0.52) HSP90AA1HSP90B1ALDH1A1TP53LMNA
SCHEMBL16133644 0.81 HSP90AA1 (0.46) HSP90AA1HSP90B1ALDH1A1BRD4DRD2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-01-08 US disclosed
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
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 (6 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 2912/4885ALDH1A1 594/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885ALDH1A1 594/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885ALDH1A1 594/4885
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885ALDH1A1 594/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885ALDH1A1 594/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885ALDH1A1 594/4885

“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.