SCHEMBL16201294

SCHEMBL16201294

CNC(=O)c1cc(-c2n[nH]cc2CN(C)CCN)ccc1Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
SCN9A Q15858 2/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CARM1 Q86X55 5/20 0.36
PRMT1 Q99873 5/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
PRMT3 O60678 4/20 0.35
PRMT6 Q96LA8 4/20 0.35
PRMT8 Q9NR22 4/20 0.35
BTK Q06187 1/20 0.35
ICAM1 P05362 1/20 0.35

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
SCHEMBL16201454 0.93 MOK (0.38) RIPK1SCN9ACA2CA4KDM4E
SCHEMBL16204207 0.91 MOK (0.40) SCN9ACA2CA4KDM4ENPSR1
SCHEMBL16201293 0.89 SCN9A (0.37) SCN9AKDM4ENPSR1L3MBTL1MEN1
SCHEMBL16201292 0.83 ERBB2 (0.47) SCN9AKDM4ENPSR1L3MBTL1MEN1
SCHEMBL16204206 0.82 MOK (0.40) SCN9AKDM4ENPSR1L3MBTL1MEN1
SCHEMBL16201452 0.81 MAPT (0.38) SCN9AKDM4ENPSR1L3MBTL1MEN1
SCHEMBL16125830 0.81 PRMT6 (0.43) SCN9ACARM1PRMT1PRMT3PRMT6
SCHEMBL16204164 0.80 PRMT1 (0.40) SCN9ANPSR1L3MBTL1MEN1ALDH1A1
SCHEMBL16201284 0.80 ERBB2 (0.41) SCN9AKDM4EALDH1A1CARM1PRMT1
SCHEMBL16201282 0.79 CARM1 (0.45) KDM4ENPSR1L3MBTL1MEN1ALDH1A1

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 12 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
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 RIPK1 2142/4885SCN9A 3718/4885CA2 2707/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 RIPK1 2142/4885SCN9A 3718/4885CA2 2707/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 RIPK1 1571/4885SCN9A 3931/4885CA2 3360/4885

“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.