SCHEMBL17789035

SCHEMBL17789035

Cc1c(CNC(=O)C(C)(C)C)c(=O)[nH]n1CCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.44
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CNR2 P34972 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ EED O75530 1/20 0.35
▸ RBBP4 Q09028 1/20 0.35
▸ SUZ12 Q15022 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ AEBP2 Q6ZN18 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 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
SCHEMBL17789037 0.91 DRD4 (0.34) DAOMEN1KMT2ADRD2DRD4
SCHEMBL18743898 0.87 DAO (0.43) DAOLMNASMN1; SMN2TDP1POLB
SCHEMBL17792512 0.87 DAO (0.47) DAOSMN1; SMN2TDP1POLBMAPK1
SCHEMBL17789036 0.79 CNR2 (0.39) DAOLMNASMN1; SMN2CNR2TACR3
SCHEMBL17789023 0.79 KDM4E (0.34) SMN1; SMN2EZH2
SCHEMBL17789026 0.78 HDAC6 (0.33) SMN1; SMN2EZH2
SCHEMBL17789025 0.77 EZH2 (0.33) CNR2EEDRBBP4SUZ12EZH2
SCHEMBL18744464 0.75 KDM4E (0.33) —
SCHEMBL19390687 0.73 KDM4E (0.43) POLBEEDRBBP4SUZ12EZH2
SCHEMBL2698834 0.71 LMNA (0.62) LMNASMN1; SMN2TDP1POLBDRD2

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-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-11-19 — — US disclosed
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-06-02 — — 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-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS DAO 2882/4885LMNA 2411/4885SMN1; SMN2 3597/4885
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS DAO 2882/4885LMNA 2411/4885SMN1; SMN2 3597/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR DAO 2733/4885LMNA 2158/4885SMN1; SMN2 3952/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR DAO 2733/4885LMNA 2158/4885SMN1; SMN2 3952/4885

“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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