SCHEMBL16136347

SCHEMBL16136347

CC(=O)NCc1nccn1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.49
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
NPSR1 Q6W5P4 1/20 0.39
SYK P43405 1/20 0.37
OGA O60502 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C1 P04150 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.35
MTNR1A P48039 1/20 0.35
KMT2A Q03164 1/20 0.34
SETDB1 Q15047 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL16133685 0.83 MAPT (0.44) FPR2ADORA3ADORA2AADORA2BADORA1
SCHEMBL16136368 0.81 FPR2 (0.48) FPR2NPSR1L3MBTL1MTNR1AKDM4E
SCHEMBL3396713 0.79 OPRK1 (0.46) FPR2NPSR1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL16768679 0.76 ADORA3 (0.39) FPR2ADORA3ADORA2AADORA2BADORA1
SCHEMBL17922070 0.75 ADORA3 (0.40) FPR2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5654711 0.74 ADORA3 (0.35) FPR2ADORA3ADORA2AADORA2BADORA1
SCHEMBL18106170 0.73 SMN1; SMN2 (0.45) FPR2ADORA3ADORA2AADORA2BADORA1
SCHEMBL19967968 0.73 ADORA3 (0.39) FPR2ADORA3ADORA2AADORA2BADORA1
SCHEMBL4077931 0.72 MAPT (0.35) FPR2ADORA3ADORA2AADORA2BADORA1
SCHEMBL23043665 0.72 ADORA3 (0.36) FPR2ADORA3ADORA2AADORA2BADORA1

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 FPR2 615/4885ADORA3 808/4885ADORA2A 1307/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 FPR2 615/4885ADORA3 808/4885ADORA2A 1307/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 FPR2 615/4885ADORA3 808/4885ADORA2A 1307/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 FPR2 615/4885ADORA3 808/4885ADORA2A 1307/4885

“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.