SCHEMBL17789049

SCHEMBL17789049

CSc1c(CNC(=O)C(C)C)c(=O)[nH]n1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL17789014 0.81 TSHR (0.37) ERCC1ERCC4TSHRKDM4EHSD17B10
SCHEMBL17789017 0.78 ERCC1 (0.34) ERCC1ERCC4TSHRKDM4EHSD17B10
SCHEMBL17789062 0.73 ALDH1A1 (0.35) ERCC1ERCC4TSHRKDM4EALDH1A1
SCHEMBL17789015 0.72 ERCC1 (0.36) ERCC1ERCC4TSHRKDM4EHSD17B10
SCHEMBL17789016 0.70 ERCC1 (0.34) ERCC1ERCC4TSHR
SCHEMBL17789028 0.69 KDM4E (0.36) ERCC1ERCC4TSHRKDM4EHSD17B10
SCHEMBL17789029 0.69 TSHR (0.35) ERCC1ERCC4TSHRKDM4EHSD17B10
SCHEMBL17789048 0.67 ERCC1 (0.40) ERCC1ERCC4TSHRKDM4EHSD17B10
SCHEMBL17789013 0.66 TSHR (0.40) ERCC1ERCC4TSHRKDM4EHSD17B10
SCHEMBL17789024 0.66 DHODH (0.35) ERCC1ERCC4TSHRKDM4EALDH1A1

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 ERCC1 1103/4885ERCC4 435/4885TSHR 4392/4885
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 ERCC1 1103/4885ERCC4 435/4885TSHR 4392/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR ERCC1 1100/4885ERCC4 465/4885TSHR 4488/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR ERCC1 1100/4885ERCC4 465/4885TSHR 4488/4885

“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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