SCHEMBL16124174

SCHEMBL16124174

CN(CCN)Cc1cn[nH]c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 2/20 0.62
PRMT8 Q9NR22 2/20 0.62
PRMT1 Q99873 2/20 0.62
PRMT3 O60678 1/20 0.62
CARM1 Q86X55 1/20 0.62
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 3/20 0.45
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPK14 Q16539 2/20 0.43
TGFBR1 P36897 2/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.40
IKBKB O14920 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL16125822 0.83 ALDH1A1 (0.46) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL16121395 0.82 PRMT6 (0.48) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL16201146 0.81 ALDH1A1 (0.59) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL16124176 0.78 PRMT6 (0.69) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL16125893 0.77 MAPK1 (0.60) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL18583267 0.71 ALDH1A1 (0.43) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL18583539 0.71 PRMT1 (0.58) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL16125361 0.71 ALDH1A1 (0.47) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL16126756 0.71 METAP2 (0.43) PRMT6PRMT8PRMT1PRMT3CARM1
SCHEMBL16121814 0.68 CARM1 (0.42) PRMT6PRMT8PRMT1PRMT3CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970134-B1 PYRAZOLE DERIVATIVES AS PRMT1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-02-28 EP disclosed
US-20160039767-A1 PYRAZOLE DERIVATIVES AS PRMT1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-02-11 US disclosed
US-8952026-B2 PRMT1 inhibitors and uses thereof Epizyme, Inc. (US) 2015-02-10 US disclosed
WO-2014153090-A1 PYRAZOLE DERIVATIVES ASPRMT1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 WO disclosed
US-20140288140-A1 PRMT1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 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-20160039767-A1 PYRAZOLE DERIVATIVES AS PRMT1 INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PRMT6 5/4885PRMT8 6/4885PRMT1 1/4885
US-20140288140-A1 PRMT1 INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT6 PRMT6 3/4885PRMT8 6/4885PRMT1 1/4885

“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.