SCHEMBL16201434

SCHEMBL16201434

CCCN(C)Cc1c[nH]nc1-c1cccc(C(=O)N(C)CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
CDK4 P11802 4/20 0.39
CCND1 P24385 4/20 0.39
CYP3A4 P08684 1/20 0.39
MAP4K1 Q92918 1/20 0.39
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.35
TTK P33981 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
MOK Q9UQ07 1/20 0.34
PRMT3 O60678 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 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
SCHEMBL16201281 0.92 PRMT6 (0.43) HSD17B1HSD17B2CDK4CCND1CYP3A4
SCHEMBL16201368 0.88 CARM1 (0.38) CYP3A4MAP4K1HPGDTTKMOK
SCHEMBL16201440 0.84 CDK8 (0.46) MAPK1MAPK8PARP1
SCHEMBL16201382 0.82 SMN1; SMN2 (0.41) LMNAMEN1KMT2ATDP1PRMT3
SCHEMBL16201329 0.78 NPC1 (0.44) MEN1KMT2APRMT3CARM1PRMT6
SCHEMBL16201410 0.78 NOTUM (0.38) HSD17B1HSD17B2MAP4K1MOKPRMT3
SCHEMBL16201373 0.78 STK4 (0.44) LMNAMEN1KMT2ACARM1PRMT6
SCHEMBL16201202 0.78 PRMT1 (0.46) TTKPRMT3CARM1PRMT6PRMT1
SCHEMBL16201251 0.78 HDAC4 (0.40) CDK4CCND1MEN1KMT2APRMT3
SCHEMBL16201341 0.78 MOK (0.37) BCHEACHEKMT2ATTKMOK

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 HSD17B1 920/4885HSD17B2 1226/4885CDK4 4265/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HSD17B1 988/4885HSD17B2 1226/4885CDK4 3950/4885

“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.