SCHEMBL19429904

SCHEMBL19429904

CC(C)N1NCc2c(C(=O)NCc3ccncc3)cc(-c3cccc(CN(C)CCN)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.39
▸ TSHR P16473 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ KLK1 P06870 4/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ TACR3 P29371 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ HTT P42858 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
SCHEMBL19430060 0.93 KMT2A (0.40) KLKB1AOC3KLK1WDR5HTT
SCHEMBL19429847 0.93 HTT (0.37) KLKB1AOC3KLK1TACR3HTT
SCHEMBL19430208 0.90 ACKR3 (0.39) KLKB1AOC3KLK1ROCK1MAPK1
SCHEMBL19430013 0.90 AOC3 (0.37) AOC3TACR3ROCK2ROCK1ACKR3
SCHEMBL19430021 0.88 KMT2A (0.38) KLKB1AOC3KLK1ALDH1A1ACKR3
SCHEMBL19430193 0.87 AOC3 (0.37) AOC3ACKR3CYP2C9
SCHEMBL19430181 0.85 AOC3 (0.38) AOC3MAP4K4
SCHEMBL19430371 0.85 AOC3 (0.39) AOC3WDR5ALDH1A1CYP2C9
SCHEMBL19430148 0.84 TACR3 (0.42) AOC3KLK1TACR3
SCHEMBL19430088 0.83 AOC3 (0.35) AOC3CYP2C9

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 KLKB1 3162/4885TSHR 3035/4885AOC3 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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