SCHEMBL16201379

SCHEMBL16201379

CCCN(C)Cc1c[nH]nc1-c1ccc(C2CCOCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.35
IL2 P60568 1/20 0.34
MAP4K1 Q92918 1/20 0.34
HTR1D P28221 1/20 0.33
PRKAB2 O43741 3/20 0.31
PRKAG1 P54619 3/20 0.31
PRKAA2 P54646 3/20 0.31
PRKAA1 Q13131 3/20 0.31
PRKAG3 Q9UGI9 3/20 0.31
PRKAG2 Q9UGJ0 3/20 0.31
PRKAB1 Q9Y478 3/20 0.31
SLC2A1 P11166 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL16201376 0.92 KDM4E (0.36) ALDH1A1HTR1DKDM4EBCHEACHE
SCHEMBL16201189 0.90 ALDH1A1 (0.39) ALDH1A1HTTIL2MAP4K1HTR1D
SCHEMBL16201428 0.85 HRH3 (0.39) ALDH1A1HTTL3MBTL1AXLTYRO3
SCHEMBL19432068 0.82 PRMT1 (0.39) ALDH1A1IL2MAP4K1KCNH2HRH3
SCHEMBL16201392 0.82 IL2 (0.38) ALDH1A1HTTIL2MAP4K1HTR1D
SCHEMBL16201205 0.81 CARM1 (0.40)
SCHEMBL16201365 0.78 HRH3 (0.42) HRH3BCHEACHE
SCHEMBL16201421 0.78 MEN1 (0.36) ALDH1A1L3MBTL1KDM4EMAPK1KMT2A
SCHEMBL16201317 0.77 KDM4E (0.34) ALDH1A1KDM4EMAPK1
SCHEMBL16201347 0.77 CRHR1 (0.38) ALDH1A1HTTKDM4EKCNH2KMT2A

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 ALDH1A1 686/4885HTT 3149/4885IL2 4735/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 895/4885HTT 3309/4885IL2 4640/4885

“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.