SCHEMBL17469471

SCHEMBL17469471

CCOc1ccc2[nH]nc(CN(C)CCNC)c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.48
▸ MAPK8 P45983 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ LRRK2 Q5S007 7/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL17469484 0.91 TTK (0.39) TTKMAPK8KDM4EALDH1A1HSD17B10
SCHEMBL17469504 0.88 HTR2A (0.44) KDM4EALDH1A1HSD17B10LRRK2MEN1
SCHEMBL16100514 0.88 LRRK2 (0.43) TTKLRRK2
SCHEMBL16129499 0.87 TTK (0.36) TTKMAPK8KDM4EALDH1A1HSD17B10
SCHEMBL16129433 0.87 LRRK2 (0.38) TTKKDM4EALDH1A1HSD17B10HPGD
SCHEMBL17469475 0.86 HTR1D (0.46) TTKKDM4EALDH1A1POLBPRMT1
SCHEMBL16129434 0.86 LRRK2 (0.36) TTKKDM4EALDH1A1HSD17B10HPGD
SCHEMBL17469452 0.85 PRMT1 (0.47) LRRK2PRMT1
SCHEMBL16129387 0.85 FGFR4 (0.45) TTKPRMT1
SCHEMBL17469449 0.84 PRMT1 (0.37) TTKKDM4EALDH1A1HSD17B10HPGD

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 3 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-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 (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 2396/4885KDM4E 175/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 TTK 3253/4885MAPK8 2396/4885KDM4E 175/4885

“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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