SCHEMBL16136256

SCHEMBL16136256

CC(=O)NCc1cccc2cn(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
SETDB1 Q15047 4/20 0.45
NQO2 P16083 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 3/20 0.43
TERT O14746 5/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16133677 0.85 MAPT (0.45) TERTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16768696 0.80 TERT (0.34) MTNR1AMTNR1BTERTALDH1A1SMN1; SMN2
SCHEMBL20180777 0.78 TLR8 (0.41) ALDH1A1
SCHEMBL31211330 0.78 SETDB1 (0.48) NPSR1SETDB1MTNR1AMTNR1BALDH1A1
SCHEMBL16136311 0.76 SETDB1 (0.41) NPSR1SETDB1NQO2MTNR1AMTNR1B
SCHEMBL16136313 0.76 NPSR1 (0.40) NPSR1SETDB1NQO2MTNR1AMTNR1B
SCHEMBL22946629 0.75 POLB (0.45) ALDH1A1SMN1; SMN2
SCHEMBL15906405 0.73 PSEN1 (0.34) ALDH1A1
SCHEMBL8470999 0.72 RAB9A (0.58) SETDB1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27171015 0.72 PARP1 (0.44) NPSR1

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 NPSR1 2400/4885SETDB1 3985/4885NQO2 156/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885SETDB1 3985/4885NQO2 156/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885SETDB1 3985/4885NQO2 156/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885SETDB1 3985/4885NQO2 156/4885

“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.