SCHEMBL16204201

SCHEMBL16204201

CNCCN(C)Cc1c[nH]nc1-c1ccc(OCCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 13/20 0.42
CARM1 Q86X55 7/20 0.38
PDE2A O00408 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KDM1A O60341 1/20 0.34
MOK Q9UQ07 1/20 0.34
LTA4H P09960 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL19432071 0.89 PRMT1 (0.43) PRMT1CARM1BCHEACHEKDM1A
SCHEMBL16194764 0.89 PRMT1 (0.44) PRMT1CARM1
SCHEMBL19432083 0.88 PRMT1 (0.46) PRMT1CARM1BCHEACHEMOK
SCHEMBL19432320 0.88 PRMT1 (0.45) PRMT1CARM1
SCHEMBL19432195 0.88 PRMT1 (0.44) PRMT1CARM1ACHEKDM1A
SCHEMBL19432072 0.88 PRMT1 (0.53) PRMT1CARM1
SCHEMBL17758389 0.88 PRMT1 (0.45) PRMT1CARM1
SCHEMBL16201430 0.88 CYP19A1 (0.40) PDE2APDE3BPDE3AP2RY12CYP1A2
SCHEMBL19432215 0.87 PRMT1 (0.39) PRMT1CARM1KDM1AMOK
SCHEMBL16201283 0.87 CARM1 (0.45) PRMT1CARM1PDE2APDE3BPDE3A

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 6 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-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-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 (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 PRMT1 1/4885CARM1 11/4885PDE2A 178/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PRMT1 1/4885CARM1 11/4885PDE2A 178/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PRMT1 1/4885CARM1 12/4885PDE2A 180/4885

“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.