SCHEMBL16201417

SCHEMBL16201417

CCCN(C)Cc1c[nH]nc1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.35
CHRM2 P08172 1/20 0.35
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAOB P27338 4/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACHE P22303 4/20 0.33
AKT1 P31749 1/20 0.33
KDM5A P29375 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL16201253 0.88 CARM1 (0.42) MEN1ALDH1A1GAAMAPTHTT
SCHEMBL16201381 0.85 CRHR1 (0.41) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL16201351 0.85 LMNA (0.44) MEN1ALDH1A1GAAMAPTHTT
SCHEMBL16201391 0.84 CHRM2 (0.45) ALDH1A1DCUN1D1CHRM2MAOBACHE
SCHEMBL16201343 0.84 PYCR1 (0.36) ALDH1A1MAPTLMNA
SCHEMBL16772893 0.83 CYP17A1 (0.33) LMNA
SCHEMBL16201404 0.82 CRHR1 (0.44) TDP1
SCHEMBL16201402 0.82 KDM5A (0.34) ALDH1A1GAAKDM5A
SCHEMBL16201385 0.82 LMNA (0.38) MEN1ALDH1A1GAAMAPTHTT
SCHEMBL16201411 0.82 ALDH1A1 (0.39) MEN1ALDH1A1GAAMAPTHTT

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 MEN1 1218/4885ALDH1A1 686/4885GAA 384/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MEN1 1839/4885ALDH1A1 895/4885GAA 738/4885

“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.