SCHEMBL16133641

SCHEMBL16133641

Cc1cnc(CNC(=O)C(C)(C)C)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
RIPK1 Q13546 1/20 0.42
SCN9A Q15858 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.40
OPRK1 P41145 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KLKB1 P03952 1/20 0.39
MMP8 P22894 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL16136292 0.86 GFER (0.46) L3MBTL1SMN1; SMN2TP53CYP3A4CYP2D6
SCHEMBL16133627 0.76 MEN1 (0.50) MAPTPOLBTP53HTT
SCHEMBL16133642 0.75 MAPT (0.49) MAPTL3MBTL1POLBSMN1; SMN2RIPK1
SCHEMBL3037128 0.73 MAPT (0.46) MAPTPOLBSMN1; SMN2CYP3A4CYP2D6
SCHEMBL1516186 0.73 RIPK1 (0.71) POLBSMN1; SMN2RIPK1CYP3A4CYP2D6
SCHEMBL19111415 0.72 KDM4E (0.44) MAPTPOLBSMN1; SMN2CYP3A4CYP2D6
SCHEMBL28705169 0.71 NOTUM (0.53) MAPTL3MBTL1POLBSMN1; SMN2CYP3A4
SCHEMBL28026195 0.68 CYP2C19 (0.59) POLBSMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL25587539 0.68 HDAC6 (0.53) L3MBTL1POLBSMN1; SMN2RIPK1CYP3A4
SCHEMBL16133638 0.68 HSP90AA1 (0.50) MAPTL3MBTL1TP53KDM4ELMNA

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 MAPT 4172/4885L3MBTL1 4404/4885POLB 3322/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885POLB 3322/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885POLB 3322/4885
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885POLB 3322/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885POLB 3322/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885POLB 3322/4885

“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.