SCHEMBL17465767

SCHEMBL17465767

CNCCN(C)Cc1n[nH]c2ccc(OCc3cccc(NC(C)=O)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.50
▸ MAPK8 P45983 2/20 0.50
▸ MAOB P27338 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ SIRT3 Q9NTG7 2/20 0.43
▸ PRMT6 Q96LA8 2/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MOK Q9UQ07 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ FGFR4 P22455 2/20 0.38

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
SCHEMBL19245440 0.91 TTK (0.50) TTKMAPK8PARP1PRMT6DHODH
SCHEMBL17469495 0.90 MAOB (0.42) TTKMAPK8MAOBFLT3
SCHEMBL17469514 0.85 TTK (0.48) TTKMAPK8MAOBLMNAFLT3
SCHEMBL17469475 0.85 HTR1D (0.46) TTKMAOBFLT3FGFR4
SCHEMBL17469501 0.83 FLT3 (0.41) TTKMAPK8MAOBLMNAFLT3
SCHEMBL17469455 0.82 CARM1 (0.39) TTKMAOBFLT3FGFR4
SCHEMBL17469472 0.82 MAOB (0.46) MAOBPRMT6
SCHEMBL16129425 0.82 HDAC6 (0.42) MAOB
SCHEMBL17469492 0.81 PARP10 (0.43) TTKMAPK8MAOBPARP1LMNA
SCHEMBL16129426 0.81 FGFR4 (0.49) TTKMAOBPRMT6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
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
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 (2 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 TTK 3253/4885MAPK8 2396/4885MAOB 382/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 TTK 3253/4885MAPK8 2396/4885MAOB 382/4885

“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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