SCHEMBL16201403

SCHEMBL16201403

CCCN(C)Cc1c[nH]nc1-c1ccc(OC)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.36
LIMK1 P53667 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.34
CYP27A1 Q02318 1/20 0.34
CYP24A1 Q07973 1/20 0.34
MAP4K1 Q92918 1/20 0.34
EPHX2 P34913 1/20 0.33
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33

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
SCHEMBL16201241 0.91 PRMT6 (0.42) CRHR1ALDH1A1KDM4ETDP1GAA
SCHEMBL16201350 0.87 PRMT6 (0.41) CRHR1PRMT3CARM1PRMT6PRMT1
SCHEMBL16201374 0.85 ALDH1A1 (0.48) CRHR1ALDH1A1KDM4EGAA
SCHEMBL16201405 0.84 CRHR1 (0.47) CRHR1ALDH1A1KDM4E
SCHEMBL16201359 0.84 CRHR1 (0.46) CRHR1ALDH1A1KDM4EGAA
SCHEMBL16201394 0.83 CRHR1 (0.40) CRHR1ALDH1A1KDM4E
SCHEMBL16201414 0.80 PRMT1 (0.41) ALDH1A1KDM4ETDP1GAAPRMT3
SCHEMBL16201198 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EGAAPRMT3CARM1
SCHEMBL16201387 0.78 GAA (0.41) CRHR1ALDH1A1KDM4EGAA
SCHEMBL16125380 0.78 CETP (0.38) ALDH1A1KDM4EPRMT3CARM1PRMT6

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 CRHR1 3768/4885ALDH1A1 686/4885KDM4E 157/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CRHR1 3785/4885ALDH1A1 895/4885KDM4E 288/4885

“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.