SCHEMBL19430392

SCHEMBL19430392

COC1CCN(C(=O)c2cc(-c3cccc(CN(C)CCN)c3)nc3c2CNN3C(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 6/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ PARP2 Q9UGN5 1/20 0.33
▸ WNK1 Q9H4A3 1/20 0.33
▸ ATR Q13535 4/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ F10 P00742 2/20 0.31
▸ KCNK3 O14649 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL19430089 0.91 AOC3 (0.38) AOC3WNK1ATRHCRTR1HCRTR2
SCHEMBL19429853 0.87 AOC3 (0.41) AOC3WNK1
SCHEMBL19430232 0.87 AOC3 (0.40) AOC3WNK1RAB9A
SCHEMBL19430397 0.85 AOC3 (0.48) AOC3PRMT6
SCHEMBL19429867 0.85 AOC3 (0.39) AOC3WNK1PKM
SCHEMBL19429872 0.83 AOC3 (0.38) AOC3PARP1WNK1
SCHEMBL19430288 0.83 AOC3 (0.38) AOC3PARP1PARP2WNK1RAB9A
SCHEMBL19429963 0.82 PRMT6 (0.37) AOC3WNK1HCRTR1HCRTR2PRMT6
SCHEMBL19421666 0.82 GBA1 (0.43) AOC3PARP1WNK1ATRRAB9A
SCHEMBL19430181 0.82 AOC3 (0.38) AOC3PRMT6RAB9A

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 2654/4885PARP1 780/4885PARP2 981/4885

“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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