SCHEMBL17746802

SCHEMBL17746802

CNC(Cc1ccccc1)CN(C)Cc1cn(C)nc1-c1ccc(OC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
GAA P10253 1/20 0.51
POLB P06746 3/20 0.46
MAPT P10636 7/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
MITF O75030 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 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
SCHEMBL16194558 0.83 ALDH1A1 (0.59) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL16194739 0.78 PRMT1 (0.51) ALDH1A1GAAPOLBMAPTKDM4E
Hydrochloric Acid SCHEMBL16194366 0.77 PRMT1 (0.50) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL16201424 0.76 ALDH1A1 (0.47) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL16201264 0.75 PRMT1 (0.60) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL17746793 0.75 ALDH1A1 (0.37) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL16204240 0.74 PRMT1 (0.46) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL16204191 0.70 ALDH1A1 (0.63) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL16204181 0.66 PRMT1 (0.68) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL16204264 0.66 PRMT1 (0.45) ALDH1A1GAAPOLBMAPTKDM4E

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 2 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-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-05-19 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 (1 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-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 895/4885GAA 738/4885POLB 2238/4885

“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.