SCHEMBL16201316

SCHEMBL16201316

CC(C)Oc1ccc(-c2nn(C3CCC3)cc2CN(C)CCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.35
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
HTR2C P28335 5/20 0.33
SLC6A4 P31645 5/20 0.33
MBTPS1 Q14703 1/20 0.33
HTR2A P28223 7/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SSTR5 P35346 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL16201299 0.87 HTR2C (0.36) BTKPRMT3CARM1PRMT6PRMT1
SCHEMBL16194882 0.81 GAA (0.38) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL16201315 0.81 PRMT1 (0.46) BTKPRMT3CARM1PRMT6PRMT1
SCHEMBL16204235 0.79 PRMT1 (0.46) BTKPRMT3CARM1PRMT6PRMT1
SCHEMBL16204188 0.78 PRMT1 (0.45) BTKPRMT3CARM1PRMT6PRMT1
SCHEMBL19409291 0.76 HTR2C (0.40) HTR2CSLC6A4HTR2APOLBMAPT
SCHEMBL16068284 0.75 HTR2C (0.38) BTKHTR2CSLC6A4HTR2APOLB
SCHEMBL17621973 0.75 HTR2C (0.36) HTR2CSLC6A4HTR2APOLBMAPT
SCHEMBL17610254 0.75 HTR2C (0.36) HTR2CSLC6A4HTR2APOLBMAPT
SCHEMBL16194334 0.75 HTR2C (0.38) HTR2CSLC6A4HTR2A

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 13 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-9776972-B2 Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof EPIZYME INC. (US) 2017-10-03 US disclosed
US-9732041-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-15 US disclosed
US-9732041-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-15 US disclosed
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-02 US disclosed
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-02 US disclosed
US-9346761-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-05-24 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-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-05-19 US disclosed
WO-2014178954-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 WO disclosed
US-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-30 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 (3 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 BTK 2039/4885PRMT3 2/4885CARM1 11/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 BTK 2039/4885PRMT3 2/4885CARM1 11/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 BTK 2165/4885PRMT3 2/4885CARM1 12/4885

“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.