SCHEMBL16136238

SCHEMBL16136238

CC(=O)NCc1nc(C)cn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
BRD4 O60885 2/20 0.43
P2RX7 Q99572 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KLKB1 P03952 1/20 0.41
EGLN1 Q9GZT9 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.41
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SETDB1 Q15047 1/20 0.40
SCD O00767 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL16133642 0.86 MAPT (0.49) CYP19A1BRD4P2RX7L3MBTL1KLKB1
SCHEMBL23011667 0.80 ALOX15 (0.43) CYP19A1NPSR1L3MBTL1SMN1; SMN2NOTUM
SCHEMBL16136363 0.77 LMNA (0.51) EGLN1POLB
SCHEMBL9786781 0.76 CYP19A1 (0.61) CYP19A1BRD4P2RX7SMN1; SMN2NOTUM
SCHEMBL2337941 0.76 PDE10A (0.47) CYP19A1BRD4KLKB1CYP1A2CYP2C9
SCHEMBL19111414 0.75 BRD4 (0.47) CYP19A1BRD4P2RX7NPSR1KLKB1
SCHEMBL29340122 0.74 BRD4 (0.44) CYP19A1BRD4P2RX7L3MBTL1SMN1; SMN2
SCHEMBL28710551 0.74 NOTUM (0.50) CYP19A1BRD4P2RX7SMN1; SMN2NOTUM
SCHEMBL16136292 0.73 GFER (0.46) L3MBTL1KLKB1EGLN1SMN1; SMN2GFER
SCHEMBL10581641 0.71 BRD4 (0.51) CYP19A1BRD4P2RX7NPSR1SMN1; 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 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 CYP19A1 51/4885BRD4 316/4885P2RX7 852/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 CYP19A1 51/4885BRD4 316/4885P2RX7 852/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 CYP19A1 51/4885BRD4 316/4885P2RX7 852/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 CYP19A1 51/4885BRD4 316/4885P2RX7 852/4885

“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.