SCHEMBL19430290

SCHEMBL19430290

CC(C)N1NCc2c(C(=O)N(C)Cc3ccccn3)cc(-c3cccc(CN(C)CCN)c3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PLAT P00750 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ EZH2 Q15910 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE7B Q9NP56 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ CXCR4 P61073 1/20 0.32

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
SCHEMBL19430262 0.87 AOC3 (0.37) AOC3PLAT
SCHEMBL19430265 0.87 AOC3 (0.37) AOC3CARM1PRMT1EZH2KDM4E
SCHEMBL19430304 0.87 SCD5 (0.39) AOC3EZH2ALDH1A1KMT2A
SCHEMBL19430078 0.87 AOC3 (0.38) AOC3ALDH1A1KMT2A
SCHEMBL19429870 0.87 AOC3 (0.39) AOC3CARM1PRMT1ALDH1A1
SCHEMBL19429839 0.84 AOC3 (0.39) AOC3PLATCARM1PRMT1
SCHEMBL19430087 0.83 AOC3 (0.42) AOC3
SCHEMBL19429853 0.82 AOC3 (0.41) AOC3KDM4EALDH1A1KMT2A
SCHEMBL19430232 0.81 AOC3 (0.40) AOC3CYP2C9KMT2A
SCHEMBL19430282 0.81 AOC3 (0.43) AOC3

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-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 — — 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-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 AOC3 2654/4885CYP2D6 1328/4885CYP2C9 1861/4885

“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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