SCHEMBL19429847

SCHEMBL19429847

CC(C)N1NCc2c(C(=O)NCc3ccc(F)cc3)cc(-c3cccc(CN(C)CCN)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ KLKB1 P03952 3/20 0.35
▸ KLK1 P06870 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ACKR3 P25106 4/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL19430208 0.95 ACKR3 (0.39) AOC3TP53CHRM3KLKB1KLK1
SCHEMBL19429904 0.93 KLKB1 (0.39) HTTAOC3KLKB1KLK1TACR3
SCHEMBL19430013 0.93 AOC3 (0.37) AOC3CHRM3TACR3ACKR3PDPK1
SCHEMBL19430021 0.91 KMT2A (0.38) AOC3LMNACHRM3KLKB1KLK1
SCHEMBL19430060 0.90 KMT2A (0.40) HTTAOC3LMNATP53KLKB1
SCHEMBL19430193 0.89 AOC3 (0.37) AOC3LMNAACKR3
SCHEMBL19430078 0.88 AOC3 (0.38) AOC3LMNATP53ACKR3
SCHEMBL19430181 0.85 AOC3 (0.38) AOC3
SCHEMBL19430371 0.85 AOC3 (0.39) AOC3
SCHEMBL19430304 0.85 SCD5 (0.39) AOC3ACKR3

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 HTT 3149/4885SMN1; SMN2 1252/4885AOC3 2654/4885

“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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