SCHEMBL16201451

SCHEMBL16201451

CCCN(C)Cc1c[nH]nc1-c1ccc(Oc2ccccc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
LTA4H P09960 1/20 0.35
SCN9A Q15858 3/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
TNK2 Q07912 4/20 0.34
SLC6A3 Q01959 1/20 0.34
MOK Q9UQ07 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2A P28223 1/20 0.33
S1PR1 P21453 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
SCHEMBL16201292 0.92 ERBB2 (0.47) ERBB2KDM4EMEN1ALDH1A1MAPT
SCHEMBL17756095 0.89 ERBB2 (0.44) ERBB2KDM4EMEN1ALDH1A1MAPT
SCHEMBL16201458 0.87 LPAR1 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16201415 0.86 MAPK1 (0.44) KDM4EMEN1ALDH1A1KMT2AMAPK1
SCHEMBL16201441 0.85 ERBB2 (0.40) ERBB2KDM4EALDH1A1L3MBTL1SCN9A
SCHEMBL16201436 0.84 ALDH1A1 (0.42) ERBB2KDM4EMEN1ALDH1A1MAPT
SCHEMBL16201452 0.84 MAPT (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16201363 0.83 PRMT6 (0.39) KDM4EALDH1A1MAPK1S1PR1
SCHEMBL16201454 0.82 MOK (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16125830 0.82 PRMT6 (0.43) ERBB2SCN9AS1PR1

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 ERBB2 4066/4885KDM4E 157/4885MEN1 1218/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ERBB2 4316/4885KDM4E 288/4885MEN1 1839/4885

“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.