SCHEMBL16133676

SCHEMBL16133676

Cc1ccc2cn(C)nc2c1CNC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ SMO Q99835 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ BRD4 O60885 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
SCHEMBL16136313 0.85 NPSR1 (0.40) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL16768677 0.85 — —
SCHEMBL16133677 0.78 MAPT (0.45) MAPTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL16133675 0.77 MAPT (0.39) MAPTL3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL16060639 0.71 MAPT (0.39) MAPTKDM4EALDH1A1
SCHEMBL31750938 0.71 L3MBTL1 (0.40) MAPTL3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL22349126 0.68 MAPT (0.37) MAPTKDM4EALDH1A1
SCHEMBL12935909 0.66 MAPT (0.46) MAPTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL25587411 0.66 MAPT (0.40) MAPTL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL25587412 0.66 MAPT (0.37) MAPTL3MBTL1KDM4EHSD17B10ALDH1A1

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 4404/4885KDM4E 1189/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885KDM4E 1189/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885KDM4E 1189/4885
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885KDM4E 1189/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885KDM4E 1189/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 MAPT 4172/4885L3MBTL1 4404/4885KDM4E 1189/4885

“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.

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