SCHEMBL16201441

SCHEMBL16201441

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.40
TNK2 Q07912 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
AR P10275 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SLC6A4 P31645 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
KDM5A P29375 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SLC6A2 P23975 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
SCHEMBL16201284 0.91 ERBB2 (0.41) ERBB2TNK2ALDH1A1HPGDAR
SCHEMBL16204260 0.90 PRMT1 (0.40) ERBB2TNK2ALDH1A1HPGDSLC6A4
SCHEMBL16201451 0.85 ERBB2 (0.47) ERBB2TNK2ALDH1A1KDM4ESLC6A4
SCHEMBL16201436 0.82 ALDH1A1 (0.42) ERBB2ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL16201452 0.82 MAPT (0.38) ALDH1A1HPGDKDM4ELMNASLC6A4
SCHEMBL16201454 0.80 MOK (0.38) ALDH1A1KDM4ELMNASLC6A4TDP1
SCHEMBL16201334 0.77 LRRK2 (0.40) ALDH1A1LMNAKDM5ALRRK2
SCHEMBL16201341 0.77 MOK (0.37) ALDH1A1MOK
SCHEMBL16201292 0.77 ERBB2 (0.47) ERBB2TNK2ALDH1A1KDM4EL3MBTL1
SCHEMBL16201402 0.77 KDM5A (0.34) ALDH1A1HPGDL3MBTL1KDM5ASLC6A2

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 4066/4885TNK2 915/4885ALDH1A1 686/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ERBB2 4316/4885TNK2 927/4885ALDH1A1 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.