SCHEMBL16201409

SCHEMBL16201409

CCCN(C)Cc1c[nH]nc1-c1cc(C#N)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KDM1A O60341 3/20 0.34
SLC6A4 P31645 4/20 0.33
FASN P49327 6/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL16201393 0.91 HRH3 (0.34) HRH3KDM1ASLC6A4
SCHEMBL16201247 0.90 KDM1A (0.39) PTGDR2KDM1ASLC6A4FASN
SCHEMBL16201395 0.88 HRH3 (0.34) HRH3KDM1ASLC6A4FASNFNTA
SCHEMBL16201411 0.82 ALDH1A1 (0.39) SLC6A4
SCHEMBL16201326 0.82 HRH3 (0.43) HRH3KDM1ASLC6A4
SCHEMBL16201201 0.81 KDM1A (0.39) KDM1A
SCHEMBL16201334 0.81 LRRK2 (0.40) LRRK2
SCHEMBL16201417 0.79 MEN1 (0.39)
SCHEMBL16201238 0.78 KDM1A (0.39) KDM1ASLC6A4FNTAFNTBPGGT1B
SCHEMBL16201402 0.78 KDM5A (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 PTGDR2 4115/4885HRH3 1068/4885KDM1A 84/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PTGDR2 3890/4885HRH3 928/4885KDM1A 95/4885

“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.