SCHEMBL17789024

SCHEMBL17789024

CC(C)C(=O)NCc1c2n([nH]c1=O)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.35
▸ ERCC1 P07992 1/20 0.34
▸ ERCC4 Q92889 1/20 0.34
▸ SLC1A2 P43004 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ PREP P48147 1/20 0.30
▸ FAP Q12884 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ PTGES O14684 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
SCHEMBL18743937 0.87 DHODH (0.33) DHODH
SCHEMBL17792498 0.85 DHODH (0.37) DHODHALDH1A1NPSR1KDM4E
SCHEMBL19934961 0.83 CYP1A2 (0.36) DHODHALDH1A1
SCHEMBL17789020 0.77 ERCC1 (0.33) ERCC1ERCC4TSHRPTGES
SCHEMBL17789062 0.73 ALDH1A1 (0.35) ERCC1ERCC4TSHRALDH1A1MAPT
SCHEMBL19390935 0.70 EZH2 (0.38) DHODH
SCHEMBL17789014 0.69 TSHR (0.37) ERCC1ERCC4TSHRALDH1A1MAPT
SCHEMBL17789038 0.68 ERCC1 (0.35) ERCC1ERCC4SLC1A2TSHRALDH1A1
SCHEMBL23370465 0.67 SMN1; SMN2 (0.34) DHODHSMN1; SMN2
SCHEMBL17789017 0.67 ERCC1 (0.34) ERCC1ERCC4TSHRALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 — — 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 (2 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 DHODH 498/4885ERCC1 1103/4885ERCC4 435/4885
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 DHODH 498/4885ERCC1 1103/4885ERCC4 435/4885

“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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