SCHEMBL16201415

SCHEMBL16201415

CCCN(C)Cc1c[nH]nc1-c1ccc(OC)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
CYP17A1 P05093 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
TDP2 O95551 1/20 0.35
MGLL Q99685 1/20 0.35
DRD5 P21918 2/20 0.35
HTT P42858 1/20 0.34
CSF1R P07333 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
SCHEMBL16201224 0.91 MAPK1 (0.44) MAPK1ALDH1A1KDM4ELMNACYP17A1
SCHEMBL16201420 0.91 ALDH1A1 (0.39) MAPK1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL16201363 0.88 PRMT6 (0.39) MAPK1ALDH1A1KDM4ELMNA
SCHEMBL16201390 0.87 PRMT6 (0.39) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16201451 0.86 ERBB2 (0.47) MAPK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16201378 0.85 PIM1 (0.33) MAPK1ALDH1A1KDM4E
SCHEMBL16201418 0.84 PRMT6 (0.39)
SCHEMBL16201375 0.82 NISCH (0.36)
SCHEMBL16201423 0.81 KDM4E (0.46) MAPK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16125846 0.81 MPL (0.39)

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 MAPK1 2329/4885ALDH1A1 686/4885KDM4E 157/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MAPK1 1952/4885ALDH1A1 895/4885KDM4E 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.