SCHEMBL16204166

SCHEMBL16204166

CNCCN(C)Cc1c[nH]nc1-c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
LRRK2 Q5S007 4/20 0.40
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
PRMT1 Q99873 5/20 0.38
CARM1 Q86X55 4/20 0.38
PRMT6 Q96LA8 1/20 0.36
MCHR1 Q99705 1/20 0.36
KCNN4 O15554 1/20 0.36
KCNA5 P22460 1/20 0.36
IDO1 P14902 1/20 0.36
MAOB P27338 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL16201334 0.88 LRRK2 (0.40) LRRK2ADORA2AADORA2BADORA1KCNN4
SCHEMBL16204247 0.87 KDM1A (0.40) KDM1APRMT1CARM1PRMT6MCHR1
SCHEMBL16201163 0.87 PRMT6 (0.45) KDM1ALRRK2ADORA2AADORA2BADORA1
SCHEMBL19432035 0.86 KDM1A (0.49) KDM1APRMT1CARM1PRMT6
SCHEMBL16204168 0.83 PRMT1 (0.42) PRMT1CARM1PRMT6
SCHEMBL16204171 0.82 PRMT1 (0.45) PRMT1CARM1
SCHEMBL16128993 0.81 PRMT1 (0.57) PRMT1CARM1PRMT6IDO1PIM1
SCHEMBL19413170 0.80 PRMT1 (0.48) LRRK2PRMT1CARM1PRMT6
SCHEMBL16204224 0.79 PDE4B (0.41) KDM1APRMT1CARM1IDO1
SCHEMBL16204260 0.78 PRMT1 (0.40) KDM1APRMT1CARM1PRMT6

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 6 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-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-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 (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 84/4885LRRK2 894/4885ADORA2A 3442/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM1A 84/4885LRRK2 894/4885ADORA2A 3442/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM1A 95/4885LRRK2 874/4885ADORA2A 3374/4885

“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.