SCHEMBL16201402

SCHEMBL16201402

CCCN(C)Cc1c[nH]nc1-c1ccccc1C#N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.34
KDM4A O75164 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
TGFBR1 P36897 1/20 0.30
PPARG P37231 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL16201230 0.89 CARM1 (0.38)
SCHEMBL16201417 0.82 MEN1 (0.39) KDM5AGAAALDH1A1
SCHEMBL16201351 0.81 LMNA (0.44) GAAALDH1A1
SCHEMBL16201381 0.81 CRHR1 (0.41) CYP1A2CYP3A4
SCHEMBL16201391 0.80 CHRM2 (0.45) ALDH1A1HPGD
SCHEMBL16201393 0.78 HRH3 (0.34)
SCHEMBL16201409 0.78 PTGDR2 (0.35)
SCHEMBL16201341 0.78 MOK (0.37) ALDH1A1
SCHEMBL16201326 0.78 HRH3 (0.43) KDM5AKDM4AKDM5CKDM5BALDH1A1
SCHEMBL16201395 0.77 HRH3 (0.34)

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 KDM5A 102/4885KDM4A 203/4885KDM5C 171/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM5A 123/4885KDM4A 311/4885KDM5C 193/4885

“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.