SCHEMBL16201284

SCHEMBL16201284

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.41
TNK2 Q07912 1/20 0.38
CARM1 Q86X55 7/20 0.38
PRMT1 Q99873 6/20 0.38
PRMT6 Q96LA8 4/20 0.36
PRMT8 Q9NR22 4/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
PRMT3 O60678 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
AR P10275 1/20 0.34
KDM1A O60341 1/20 0.34
SCN9A Q15858 2/20 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
SCHEMBL16201441 0.91 ERBB2 (0.40) ERBB2TNK2ALDH1A1HPGDKDM4E
SCHEMBL16204260 0.89 PRMT1 (0.40) ERBB2TNK2CARM1PRMT1PRMT6
SCHEMBL16201292 0.86 ERBB2 (0.47) ERBB2TNK2CARM1PRMT1PRMT6
SCHEMBL16125830 0.84 PRMT6 (0.43) ERBB2CARM1PRMT1PRMT6PRMT8
SCHEMBL16201282 0.82 CARM1 (0.45) ERBB2CARM1PRMT1PRMT6PRMT8
SCHEMBL16201293 0.81 SCN9A (0.37) CARM1PRMT1PRMT6PRMT8ALDH1A1
SCHEMBL16201294 0.80 RIPK1 (0.36) CARM1PRMT1PRMT6PRMT8ALDH1A1
SCHEMBL16201451 0.78 ERBB2 (0.47) ERBB2TNK2ALDH1A1KDM4ESCN9A
SCHEMBL16201297 0.78 CARM1 (0.42) CARM1PRMT1PRMT6PRMT8ALDH1A1
SCHEMBL16201147 0.77 CARM1 (0.49) CARM1PRMT1PRMT6PRMT8PRMT3

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 12 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-9776972-B2 Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof EPIZYME INC. (US) 2017-10-03 US disclosed
US-9732041-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-15 US disclosed
US-9732041-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-15 US disclosed
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-02 US disclosed
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-02 US disclosed
US-9346761-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-05-24 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-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
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 (3 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 915/4885CARM1 11/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ERBB2 4066/4885TNK2 915/4885CARM1 11/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ERBB2 4316/4885TNK2 927/4885CARM1 12/4885

“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.