SCHEMBL16201440

SCHEMBL16201440

CCCN(C)Cc1c[nH]nc1-c1cccc(C(=O)NCC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.46
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
SIGMAR1 Q99720 4/20 0.39
TMEM97 Q5BJF2 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
AOC3 Q16853 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
PARP1 P09874 1/20 0.37
MAPK1 P28482 1/20 0.37
CSNK1D P48730 1/20 0.37
PRKD1 Q15139 2/20 0.37
FYN P06241 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL16201280 0.92 PRMT6 (0.45) CDK8ROCK2ROCK1SIGMAR1TMEM97
SCHEMBL19413169 0.91 PRMT1 (0.45) CDK8ROCK2ROCK1SIGMAR1TMEM97
SCHEMBL16201368 0.87 CARM1 (0.38) CDK8ROCK2ROCK1MAPK8CSNK1D
SCHEMBL16201434 0.84 HSD17B1 (0.39) MAPK8PARP1MAPK1
SCHEMBL16201226 0.79 AOC3 (0.41) SIGMAR1TMEM97AOC3MAPK8
SCHEMBL16201382 0.79 SMN1; SMN2 (0.41) MAPK14SMN1; SMN2
SCHEMBL16201329 0.78 NPC1 (0.44)
SCHEMBL16201410 0.78 NOTUM (0.38) FYNSMN1; SMN2
SCHEMBL16201373 0.78 STK4 (0.44)
SCHEMBL16201202 0.78 PRMT1 (0.46) CDK8ROCK2ROCK1MAPK8CSNK1D

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 CDK8 2067/4885ROCK2 438/4885ROCK1 297/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CDK8 2079/4885ROCK2 658/4885ROCK1 428/4885

“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.