SCHEMBL16136348

SCHEMBL16136348

COc1nc[nH]c1CNC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTNR1A P48039 6/20 0.38
MTNR1B P49286 5/20 0.38
KMT2A Q03164 1/20 0.38
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
VHL P40337 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL19413243 0.83 HDAC6 (0.40) SMN1; SMN2HDAC6ALDH1A1MAPT
SCHEMBL16136241 0.79 NPSR1 (0.41) MGMTNPSR1MTNR1AKMT2AQPCT
SCHEMBL20625836 0.73 AR (0.34) QPCTMAPT
SCHEMBL16136300 0.72 MGMT (0.39) MGMTNPSR1MTNR1AMTNR1BALDH1A1
SCHEMBL16136333 0.72 KDM4E (0.44) NPSR1MTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL16136246 0.70 ALDH1A1 (0.44) MGMTNPSR1MTNR1AMTNR1BKMT2A
SCHEMBL20625834 0.70 PDPK1 (0.32)
SCHEMBL24015852 0.69 GABRR1 (0.56) NPSR1KMT2AQPCTQPCTLVHL
SCHEMBL23048465 0.68 NPSR1 (0.43) NPSR1MTNR1AMTNR1BKMT2AQPCT
SCHEMBL30420959 0.68 KDM1A (0.48) MTNR1AMTNR1B

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 MGMT 1012/4885NPSR1 2400/4885MTNR1A 2478/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MGMT 1012/4885NPSR1 2400/4885MTNR1A 2478/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MGMT 1012/4885NPSR1 2400/4885MTNR1A 2478/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 MGMT 1012/4885NPSR1 2400/4885MTNR1A 2478/4885

“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.