SCHEMBL16133646

SCHEMBL16133646

CC(C)(C)C(=O)NCCc1nccn1Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 6/20 0.53
HSP90AA1 P07900 5/20 0.53
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
DRD4 P21917 4/20 0.46
DRD2 P14416 3/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
HSP90AB1 P08238 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
SCHEMBL16133645 0.91 HSP90B1 (0.52) HSP90B1HSP90AA1LMNAALDH1A1SMN1; SMN2
SCHEMBL16133631 0.89 POLB (0.52) HSP90B1HSP90AA1ALDH1A1POLBHSP90AB1
SCHEMBL16133633 0.88 HSP90B1 (0.49) HSP90B1HSP90AA1LMNAMAPTSMN1; SMN2
SCHEMBL16133644 0.88 HSP90AA1 (0.46) HSP90B1HSP90AA1LMNAALDH1A1MAPT
SCHEMBL16133647 0.87 HSP90B1 (0.56) HSP90B1HSP90AA1MAPTSMN1; SMN2DRD4
SCHEMBL16136332 0.86 HSP90B1 (0.55) HSP90B1HSP90AA1LMNASMN1; SMN2HSP90AB1
SCHEMBL16768686 0.86 HSP90AA1 (0.47) HSP90B1HSP90AA1LMNASMN1; SMN2HSP90AB1
SCHEMBL16133643 0.83 HSP90AA1 (0.55) HSP90B1HSP90AA1LMNAALDH1A1MAPT
SCHEMBL16064999 0.80 HSP90AA1 (0.48) HSP90B1HSP90AA1LMNASMN1; SMN2HSP90AB1
SCHEMBL16133635 0.78 HSP90AA1 (0.48) HSP90B1HSP90AA1LMNAMAPTSMN1; SMN2

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 HSP90B1 2912/4885HSP90AA1 4223/4885LMNA 2821/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90B1 2912/4885HSP90AA1 4223/4885LMNA 2821/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90B1 2912/4885HSP90AA1 4223/4885LMNA 2821/4885
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, PAICS, CYP4B1 HSP90B1 2912/4885HSP90AA1 4223/4885LMNA 2821/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90B1 2912/4885HSP90AA1 4223/4885LMNA 2821/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90B1 2912/4885HSP90AA1 4223/4885LMNA 2821/4885

“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.