SCHEMBL17297804

SCHEMBL17297804

Cc1cc(=O)c(CNC(=O)C(C)(C)C)c2n1CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LDHA P00338 1/20 0.35
▸ P2RX7 Q99572 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DRD4 P21917 4/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL17297856 0.86 DRD4 (0.36) TP53LDHADRD4DRD2HDAC6
SCHEMBL17297973 0.86 LDHA (0.37) TP53KDM4ELDHAP2RX7MAPK1
SCHEMBL17297857 0.85 LDHA (0.34) LDHADRD4DRD2HDAC6ALDH1A1
SCHEMBL17297805 0.82 CNR2 (0.35) TP53KDM4ECNR1CNR2
SCHEMBL17297851 0.80 DRD4 (0.32) TP53KDM4ELDHAP2RX7MAPK1
SCHEMBL17297872 0.80 KDM4E (0.33) TP53KDM4ECNR1CNR2DRD4
SCHEMBL17297854 0.77 DRD4 (0.36) P2RX7DRD4DRD2HDAC6CA1
SCHEMBL17297870 0.77 KDM4E (0.34) TP53KDM4EP2RX7CNR1CNR2
SCHEMBL19102417 0.76 DRD2 (0.39) TP53LDHACNR1CNR2DRD4
SCHEMBL17297858 0.76 CA1 (0.33) DRD4DRD2HDAC6CA1CA2

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-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-05-17 — — US disclosed
US-9701666-B2 1,4-pyridone bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-07-11 — — US disclosed
US-9701666-B2 1,4-pyridone bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-07-11 — — US disclosed
US-20150344459-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2015-12-03 — — 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-20150344459-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS CYP4B1, PDXK, CYP1B1 TP53 350/4885KDM4E 821/4885LDHA 2089/4885
US-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS CYP4B1, PDXK, CYP1B1 TP53 350/4885KDM4E 821/4885LDHA 2089/4885

“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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