SCHEMBL16201404

SCHEMBL16201404

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.44
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSP90AB1 P08238 1/20 0.33
PYCR1 P32322 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
SCHEMBL16201223 0.89 CARM1 (0.40) CRHR1NOTUMCYP1A2CYP2D6SLC6A2
SCHEMBL16201352 0.89 CRHR1 (0.43) CRHR1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL16201343 0.88 PYCR1 (0.36) CRHR1HSP90AB1PYCR1
SCHEMBL16201399 0.87 SLC6A2 (0.35) CRHR1CYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL16201406 0.85 TDP1 (0.34) CRHR1CYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL16201413 0.85 NMT1 (0.40) CRHR1TDP1L3MBTL1HSP90AB1
SCHEMBL16201405 0.84 CRHR1 (0.47) CRHR1
SCHEMBL16201408 0.83 L3MBTL1 (0.45) SLC6A2SLC6A4SLC6A3TDP1L3MBTL1
SCHEMBL16201377 0.83 CRHR1 (0.38) CRHR1SLC6A4
SCHEMBL16201393 0.82 HRH3 (0.34) SLC6A4HSP90AB1

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 CRHR1 3768/4885NOTUM 673/4885CYP1A2 1176/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CRHR1 3785/4885NOTUM 1329/4885CYP1A2 728/4885

“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.