SCHEMBL16201393

SCHEMBL16201393

CCCN(C)Cc1c[nH]nc1-c1ccc(C#N)cc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
S1PR1 P21453 1/20 0.34
EGLN1 Q9GZT9 8/20 0.34
CYP11B2 P19099 4/20 0.34
KDM1A O60341 2/20 0.34
CYP11B1 P15538 3/20 0.33
HSP90AB1 P08238 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 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
SCHEMBL16201409 0.91 PTGDR2 (0.35) HRH3KDM1ASLC6A4
SCHEMBL16201201 0.90 KDM1A (0.39) EGLN1CYP11B2KDM1ACYP11B1HSP90AB1
SCHEMBL16201395 0.85 HRH3 (0.34) HRH3KDM1ASLC6A4KCNH2
SCHEMBL16201343 0.84 PYCR1 (0.36) HSP90AB1
SCHEMBL16201413 0.82 NMT1 (0.40) HSP90AB1
SCHEMBL16201404 0.82 CRHR1 (0.44) HSP90AB1SLC6A4
SCHEMBL16201326 0.82 HRH3 (0.43) HRH3KDM1ASLC6A4
SCHEMBL16201405 0.81 CRHR1 (0.47)
SCHEMBL16201247 0.81 KDM1A (0.39) KDM1ASLC6A4
SCHEMBL16201334 0.81 LRRK2 (0.40)

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 HRH3 1068/4885S1PR1 2849/4885EGLN1 255/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HRH3 928/4885S1PR1 3166/4885EGLN1 244/4885

“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.