SCHEMBL16201201

SCHEMBL16201201

Cc1cc(C#N)ccc1-c1n[nH]cc1CN(C)CCN

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.39
PRMT3 O60678 2/20 0.35
CARM1 Q86X55 2/20 0.35
PRMT6 Q96LA8 2/20 0.35
PRMT1 Q99873 2/20 0.35
PRMT8 Q9NR22 2/20 0.35
NSD2 O96028 1/20 0.35
CYP11B2 P19099 3/20 0.35
CYP11B1 P15538 2/20 0.35
HSP90AB1 P08238 1/20 0.35
EGLN1 Q9GZT9 4/20 0.34
EGLN2 Q96KS0 4/20 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
SCHEMBL16201247 0.91 KDM1A (0.39) KDM1APRMT3CARM1PRMT6PRMT1
SCHEMBL16201393 0.90 HRH3 (0.34) KDM1ACYP11B2CYP11B1HSP90AB1EGLN1
SCHEMBL16201238 0.86 KDM1A (0.39) KDM1APRMT3CARM1PRMT6PRMT1
SCHEMBL16201178 0.85 CARM1 (0.39) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL16201223 0.83 CARM1 (0.40) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL16201243 0.83 ALDH1A1 (0.40) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL16201161 0.82 KDM1A (0.47) KDM1APRMT3CARM1PRMT6PRMT1
SCHEMBL16201244 0.82 ALDH1A1 (0.41) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL16201163 0.81 PRMT6 (0.45) KDM1APRMT3CARM1PRMT6PRMT1
SCHEMBL16201409 0.81 PTGDR2 (0.35) KDM1A

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 84/4885PRMT3 2/4885CARM1 11/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM1A 84/4885PRMT3 2/4885CARM1 11/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM1A 95/4885PRMT3 2/4885CARM1 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.