SCHEMBL19429824

SCHEMBL19429824

CC(C)N1NCc2c(C(=O)NC3CCOCC3)cc(-c3cccc(CN(C)CCN)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.43
▸ NTRK1 P04629 4/20 0.41
▸ P2RX7 Q99572 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ MTOR P42345 2/20 0.34
▸ ATR Q13535 1/20 0.34
▸ NAPEPLD Q6IQ20 1/20 0.34
▸ P2RX3 P56373 1/20 0.33

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
SCHEMBL19430062 0.96 AOC3 (0.40) AOC3NTRK1P2RX7CNR2KMT2A
SCHEMBL19430181 0.95 AOC3 (0.38) AOC3NTRK1CNR2KMT2APRMT6
SCHEMBL19429906 0.89 AOC3 (0.41) AOC3NTRK1P2RX7CNR2PRMT6
SCHEMBL19430282 0.88 AOC3 (0.43) AOC3PRMT6MTOR
SCHEMBL19430087 0.87 AOC3 (0.42) AOC3PRMT6MTOR
SCHEMBL19430371 0.86 AOC3 (0.39) AOC3KMT2APRMT6MTORNAPEPLD
SCHEMBL19430397 0.86 AOC3 (0.48) AOC3PRMT6
SCHEMBL19430193 0.84 AOC3 (0.37) AOC3P2RX7PRMT6MTORNAPEPLD
SCHEMBL19430148 0.84 TACR3 (0.42) AOC3KMT2A
SCHEMBL19429904 0.83 KLKB1 (0.39) 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 2654/4885NTRK1 4670/4885P2RX7 4779/4885

“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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