SCHEMBL16201394

SCHEMBL16201394

CCCN(C)Cc1c[nH]nc1-c1ccc(OC)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.40
ALDH1A1 P00352 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
HTR6 P50406 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL16201237 0.90 CARM1 (0.40) CRHR1ALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL16201359 0.87 CRHR1 (0.46) CRHR1ALDH1A1KDM4E
SCHEMBL16201405 0.87 CRHR1 (0.47) CRHR1ALDH1A1KDM4EHTR6
SCHEMBL16201352 0.87 CRHR1 (0.43) CRHR1
SCHEMBL16201374 0.86 ALDH1A1 (0.48) CRHR1ALDH1A1KDM4EHTR6
SCHEMBL16201377 0.86 CRHR1 (0.38) CRHR1ALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL16201348 0.85 NISCH (0.36) CRHR1ALDH1A1HTR2ASLC6A4KDM4E
SCHEMBL16201403 0.83 CRHR1 (0.41) CRHR1ALDH1A1KDM4E
SCHEMBL16201389 0.82 PRMT6 (0.38) CRHR1HTR2ASLC6A4KCNH2
SCHEMBL16201381 0.82 CRHR1 (0.41) CRHR1KDM4EHSP90AA1DPP4

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 3768/4885ALDH1A1 686/4885HTR2A 4193/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CRHR1 3785/4885ALDH1A1 895/4885HTR2A 4240/4885

“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.