SCHEMBL16201397

SCHEMBL16201397

CCCN(C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 2/20 0.41
PRMT8 Q9NR22 2/20 0.41
PRMT3 O60678 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT1 Q99873 1/20 0.41
IDO1 P14902 1/20 0.36
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP11B2 P19099 7/20 0.34
CYP11B1 P15538 6/20 0.34
MPL P40238 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE2A O00408 1/20 0.33
HSD11B1 P28845 1/20 0.32
KDM1A O60341 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16201236 0.91 PRMT6 (0.51) PRMT6PRMT8PRMT3CARM1PRMT1
SCHEMBL16201350 0.89 PRMT6 (0.41) PRMT6PRMT8PRMT3CARM1PRMT1
SCHEMBL16201389 0.88 PRMT6 (0.38) PRMT6PRMT8PRMT3CARM1PRMT1
SCHEMBL16201356 0.86 ALDH1A1 (0.41) IDO1ALDH1A1KDM4E
SCHEMBL16201360 0.85 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL16125380 0.84 CETP (0.38) PRMT6PRMT8PRMT3CARM1PRMT1
SCHEMBL16201399 0.84 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL16201339 0.83 PRMT6 (0.38) PRMT6PRMT8PRMT3CARM1PRMT1
SCHEMBL16201374 0.83 ALDH1A1 (0.48) ALDH1A1KDM4E
SCHEMBL16201176 0.82 PRMT6 (0.51) PRMT6PRMT8PRMT3CARM1PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776972-B2 Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof EPIZYME INC. (US) 2017-10-03 US disclosed
US-9346761-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-05-24 US disclosed
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-05-19 US disclosed
US-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-30 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-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PRMT6 4/4885PRMT8 6/4885PRMT3 2/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PRMT6 5/4885PRMT8 6/4885PRMT3 2/4885

“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.