SCHEMBL16201344

SCHEMBL16201344

CCCN(C)Cc1cn(CC2COC2)nc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 5/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 8/20 0.35
AGTR1 P30556 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 3/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL16201173 0.91 KMT2A (0.38) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL16201357 0.83 KMT2A (0.40) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL16201219 0.81 ALDH1A1 (0.39) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL16201320 0.79 ALDH1A1 (0.41) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL16204229 0.79 PRMT1 (0.39) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL16201325 0.79 MAPT (0.41) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL16201346 0.79 PTGS2 (0.33) KMT2AMEN1ALDH1A1
SCHEMBL16201318 0.77 KDM4E (0.45) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL16201328 0.75 KDM4E (0.39) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL16201168 0.73 KMT2A (0.37) KMT2AMEN1KDM4EMAPTLMNA

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 KMT2A 65/4885MEN1 1218/4885KDM4E 157/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KMT2A 96/4885MEN1 1839/4885KDM4E 288/4885

“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.