SCHEMBL17469484

SCHEMBL17469484

CCCOc1ccc2[nH]nc(CN(C)CCNC)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HTR1A P08908 3/20 0.37
▸ HTR1B P28222 3/20 0.37
▸ HTR1D P28221 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ LRRK2 Q5S007 3/20 0.35
▸ HAO1 Q9UJM8 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PRMT1 Q99873 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
SCHEMBL17469471 0.91 TTK (0.48) TTKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16100514 0.90 LRRK2 (0.43) TTKLRRK2
SCHEMBL16129433 0.89 LRRK2 (0.38) TTKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16129434 0.88 LRRK2 (0.36) TTKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16129386 0.86 MTNR1A (0.43) TTKHTR1DPRMT1
SCHEMBL17469504 0.86 HTR2A (0.44) KDM4EALDH1A1HSD17B10HTR1AHTR1B
SCHEMBL17469475 0.84 HTR1D (0.46) TTKKDM4EALDH1A1HTR1DMAPT
SCHEMBL17469452 0.83 PRMT1 (0.47) LRRK2PRMT1
SCHEMBL16129387 0.83 FGFR4 (0.45) TTKHTR1DPRMT1
SCHEMBL16129499 0.83 TTK (0.36) TTKKDM4EALDH1A1HPGDHSD17B10

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 3253/4885KDM4E 175/4885ALDH1A1 545/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 TTK 3253/4885KDM4E 175/4885ALDH1A1 545/4885

“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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