SCHEMBL16201334

SCHEMBL16201334

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2B P29275 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
IDO1 P14902 2/20 0.38
MAOB P27338 1/20 0.38
KCNN4 O15554 2/20 0.37
KCNA5 P22460 2/20 0.37
CNR2 P34972 1/20 0.36
KDM5A P29375 1/20 0.36
CLK4 Q9HAZ1 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL16201163 0.90 PRMT6 (0.45) LRRK2ADORA2AADORA1ADORA2BIDO1
SCHEMBL16204166 0.88 KDM1A (0.42) LRRK2ADORA2AADORA1ADORA2BIDO1
SCHEMBL16201326 0.85 HRH3 (0.43) KDM5AALDH1A1TSHRHSD17B10
SCHEMBL16772894 0.84 ABL1 (0.33) LRRK2CYP1A2
SCHEMBL16201382 0.83 SMN1; SMN2 (0.41) IDO1CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL16201410 0.82 NOTUM (0.38) LRRK2ALDH1A1HSD17B10
SCHEMBL16201329 0.82 NPC1 (0.44) IDO1ALDH1A1MEN1KMT2A
SCHEMBL16201373 0.82 STK4 (0.44) LRRK2ALDH1A1MEN1LMNAKMT2A
SCHEMBL16201341 0.81 MOK (0.37) ADORA2AADORA1ALDH1A1KMT2A
SCHEMBL16201387 0.81 GAA (0.41) CLK4ALDH1A1MEN1LMNATSHR

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 4 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-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 (2 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 LRRK2 894/4885ADORA2A 3442/4885ADORA1 3259/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 LRRK2 874/4885ADORA2A 3374/4885ADORA1 2996/4885

“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.