SCHEMBL17789029

SCHEMBL17789029

COc1[nH]n(C)c(=O)c1CNC(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ ERCC1 P07992 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PTGES O14684 4/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL18743940 0.84 — —
SCHEMBL17792538 0.84 MTNR1A (0.33) HSD17B10ALDH1A1TP53MAPTMTNR1A
SCHEMBL17789015 0.81 ERCC1 (0.36) TSHRKDM4EHSD17B10ALDH1A1TP53
SCHEMBL17789016 0.78 ERCC1 (0.34) TSHRMAPK8ERCC1ERCC4
SCHEMBL17789014 0.72 TSHR (0.37) TSHRKDM4EHSD17B10ALDH1A1TP53
SCHEMBL17789017 0.70 ERCC1 (0.34) TSHRKDM4EHSD17B10ALDH1A1TP53
SCHEMBL17789028 0.69 KDM4E (0.36) TSHRKDM4EHSD17B10ALDH1A1TP53
SCHEMBL17789040 0.69 ERCC1 (0.36) TSHRKDM4EHSD17B10MAPK8ERCC1
SCHEMBL17789049 0.69 ERCC1 (0.33) TSHRKDM4EHSD17B10ALDH1A1TP53
SCHEMBL17789050 0.68 ERCC1 (0.35) TSHRKDM4EHSD17B10ALDH1A1TP53

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 TSHR 4392/4885KDM4E 1368/4885HSD17B10 393/4885
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 TSHR 4392/4885KDM4E 1368/4885HSD17B10 393/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR TSHR 4488/4885KDM4E 860/4885HSD17B10 951/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR TSHR 4488/4885KDM4E 860/4885HSD17B10 951/4885

“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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