SCHEMBL17789038

SCHEMBL17789038

Cc1c(CNC(=O)C(C)C)c(=O)n2n1CCCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ SLC1A2 P43004 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.30
▸ ATM Q13315 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
SCHEMBL18743917 0.85 — —
SCHEMBL18744321 0.82 CYP1A2 (0.35) ALDH1A1MAPTLIPETSHRMEN1
SCHEMBL19390953 0.69 EZH2 (0.37) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL20154363 0.68 TSHR (0.39) ERCC1ERCC4ALDH1A1MAPTNPSR1
SCHEMBL17789024 0.68 DHODH (0.35) ERCC1ERCC4SLC1A2ALDH1A1MAPT
SCHEMBL17789040 0.68 ERCC1 (0.36) ERCC1ERCC4TSHRMEN1KMT2A
SCHEMBL17789014 0.68 TSHR (0.37) ERCC1ERCC4ALDH1A1MAPTTSHR
SCHEMBL17789015 0.68 ERCC1 (0.36) ERCC1ERCC4ALDH1A1TSHRMEN1
SCHEMBL17789062 0.67 ALDH1A1 (0.35) ERCC1ERCC4ALDH1A1MAPTNPSR1
SCHEMBL17789050 0.67 ERCC1 (0.35) ERCC1ERCC4ALDH1A1TSHRSMN1; SMN2

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 ERCC1 1103/4885ERCC4 435/4885SLC1A2 2560/4885
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 435/4885SLC1A2 2560/4885

“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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