SCHEMBL21418342

SCHEMBL21418342

Cc1cc(C)c(CNCc2cc(N3CCN(CCO)CC3)cc3c2cnn3C2CCCC2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 15/20 0.48
▸ EZH1 Q92800 3/20 0.41
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCND2 P30279 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ EED O75530 1/20 0.40
▸ RBBP4 Q09028 1/20 0.40
▸ SUZ12 Q15022 1/20 0.40
▸ RBBP7 Q16576 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL12684492 0.88 EZH2 (0.60) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL18800371 0.86 EZH2 (0.49) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL19391462 0.85 EZH2 (0.45) EZH2EZH1CDK4CCND1CCND2
SCHEMBL21418346 0.82 EZH2 (0.55) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL12684439 0.81 EZH2 (0.60) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL18800423 0.80 EZH2 (0.53) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL22517657 0.79 EZH2 (0.52) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL18800350 0.79 EZH2 (0.54) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL12684211 0.77 EZH2 (0.67) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL12498441 0.76 EZH2 (0.65) EZH2EZH1EEDRBBP4SUZ12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 — — 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 (1 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-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 EZH2 1355/4885EZH1 2661/4885CDK4 173/4885

“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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