SCHEMBL17457580

SCHEMBL17457580

CC(COC(=O)NC(C)(C)C)N(C)Cc1n[nH]c2ccc(OC3CCOCC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.35
▸ LRRK2 Q5S007 7/20 0.35
▸ KCNH2 Q12809 4/20 0.34
▸ INSR P06213 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ ACACB O00763 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
SCHEMBL17457577 0.95 LRRK2 (0.38) GSK3BLRRK2KCNH2MAPK1NTRK1
SCHEMBL17457579 0.85 GSK3B (0.37) GSK3BLRRK2KCNH2INSRIGF1R
SCHEMBL17457575 0.80 LRRK2 (0.38) GSK3BLRRK2KCNH2MAPK1NTRK1
SCHEMBL16100245 0.74 LRRK2 (0.38) GSK3BLRRK2KCNH2INSRIGF1R
SCHEMBL16099650 0.73 LRRK2 (0.36) GSK3BLRRK2KCNH2INSRIGF1R
SCHEMBL16120042 0.72 LRRK2 (0.41) GSK3BLRRK2KCNH2INSRIGF1R
SCHEMBL16100558 0.69 LRRK2 (0.41) GSK3BLRRK2KCNH2INSRIGF1R
SCHEMBL17457593 0.69 LRRK2 (0.43) GSK3BLRRK2INSRIGF1RALK
SCHEMBL16101089 0.69 LRRK2 (0.43) GSK3BLRRK2INSRIGF1RALK
SCHEMBL16102326 0.69 LRRK2 (0.40) GSK3BLRRK2KCNH2INSRIGF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — 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-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 GSK3B 1024/4885LRRK2 972/4885KCNH2 4710/4885

“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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