SCHEMBL16201161

SCHEMBL16201161

CN(CCN)Cc1c[nH]nc1-c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.47
CARM1 Q86X55 7/20 0.40
PRMT1 Q99873 6/20 0.40
PRMT6 Q96LA8 5/20 0.40
PRMT8 Q9NR22 4/20 0.40
PRMT3 O60678 2/20 0.40
CHEK1 O14757 2/20 0.35
NSD2 O96028 1/20 0.35
TRPA1 O75762 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL16201326 0.89 HRH3 (0.43) KDM1ACHEK1TRPA1SCN5ASCN9A
SCHEMBL16201163 0.86 PRMT6 (0.45) KDM1ACARM1PRMT1PRMT6PRMT8
SCHEMBL19432035 0.85 KDM1A (0.49) KDM1ACARM1PRMT1PRMT6PRMT8
SCHEMBL16201270 0.84 KDM1A (0.36) KDM1ACHEK1
SCHEMBL16201250 0.84 CARM1 (0.45) CARM1PRMT1PRMT6PRMT8PRMT3
SCHEMBL16125905 0.83 PRMT6 (0.39) KDM1ACARM1PRMT1PRMT6PRMT8
SCHEMBL16100323 0.83 CARM1 (0.40) KDM1ACARM1PRMT1PRMT6PRMT8
SCHEMBL16201148 0.83 CARM1 (0.43) CARM1PRMT1PRMT6PRMT8PRMT3
SCHEMBL16201186 0.83 CARM1 (0.46) CARM1PRMT1PRMT6PRMT8PRMT3
SCHEMBL16201147 0.83 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 KDM1A 84/4885CARM1 11/4885PRMT1 1/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM1A 84/4885CARM1 11/4885PRMT1 1/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM1A 95/4885CARM1 12/4885PRMT1 1/4885

“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.