SCHEMBL16201146

SCHEMBL16201146

CN(CCN)Cc1cn[nH]c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 3/20 0.58
TDP1 Q9NUW8 1/20 0.57
HTT P42858 1/20 0.55
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
CARM1 Q86X55 5/20 0.49
PRMT6 Q96LA8 3/20 0.49
PRMT8 Q9NR22 3/20 0.49
PRMT1 Q99873 3/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRMT3 O60678 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL16125893 0.87 MAPK1 (0.60) ALDH1A1MAPK1TDP1HTTLMNA
SCHEMBL16125822 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1HTTLMNA
SCHEMBL16124174 0.81 PRMT6 (0.62) ALDH1A1MAPK1TDP1HTTLMNA
SCHEMBL16068185 0.79 MOK (0.44) ALDH1A1MAPK1TDP1HTTMAPT
SCHEMBL16121814 0.77 CARM1 (0.42) ALDH1A1MAPK1CARM1PRMT6PRMT8
SCHEMBL16126756 0.77 METAP2 (0.43) ALDH1A1MAPK1TDP1CARM1PRMT6
SCHEMBL20393050 0.76 CARM1 (0.54) ALDH1A1MAPK1TDP1HTTMAPT
SCHEMBL20393124 0.76 MAPT (0.41) ALDH1A1MAPK1TDP1HTTMAPT
SCHEMBL16125361 0.74 ALDH1A1 (0.47) ALDH1A1MAPK1TDP1LMNACARM1
SCHEMBL18583256 0.73 ALDH1A1 (0.47) ALDH1A1MAPK1TDP1HTTLMNA

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 13 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
WO-2014178954-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 WO 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 ALDH1A1 686/4885MAPK1 2329/4885TDP1 317/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 686/4885MAPK1 2329/4885TDP1 317/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 895/4885MAPK1 1952/4885TDP1 375/4885

“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.