SCHEMBL16201329

SCHEMBL16201329

CCCN(C)Cc1c[nH]nc1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
PRMT6 Q96LA8 2/20 0.38
PRMT8 Q9NR22 2/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
PRMT3 O60678 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT1 Q99873 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL16201164 0.89 PRMT6 (0.50) NPC1RAB9AALDH1A1KDM4EPRMT6
SCHEMBL16201362 0.87 NPC1 (0.32) NPC1RAB9AALDH1A1KDM4EPRMT6
SCHEMBL16201382 0.86 SMN1; SMN2 (0.41) ALDH1A1KDM4EPRMT6PRMT8NPSR1
SCHEMBL16201442 0.85 MGLL (0.44) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL16201410 0.85 NOTUM (0.38) NPC1RAB9AALDH1A1KDM4EPRMT6
SCHEMBL16201373 0.85 STK4 (0.44) NPC1RAB9AALDH1A1PRMT6PRMT8
SCHEMBL16201317 0.84 KDM4E (0.34) ALDH1A1KDM4EDRD2HTR2AHTR2C
SCHEMBL16201341 0.84 MOK (0.37) ALDH1A1PRMT6PRMT8DRD2HTR2A
SCHEMBL16201387 0.84 GAA (0.41) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL16772907 0.82 CYP11B1 (0.33) NPC1RAB9APRMT6

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 NPC1 631/4885RAB9A 1186/4885ALDH1A1 686/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 NPC1 793/4885RAB9A 1199/4885ALDH1A1 895/4885

“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.