SCHEMBL16201151

SCHEMBL16201151

COCCn1cc(CN(C)CCN)c(-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAP4K4 O95819 1/20 0.37
EGFR P00533 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1D P48730 1/20 0.37
SLK Q9H2G2 1/20 0.37
CYP1A2 P05177 3/20 0.37

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
SCHEMBL16201320 0.90 ALDH1A1 (0.41) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL16201154 0.90 GAA (0.41) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL16201157 0.86 MAPT (0.41) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL16201149 0.82 TDP1 (0.47) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL16201173 0.80 KMT2A (0.38) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL16201167 0.78 KDM4E (0.37) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL16201219 0.78 ALDH1A1 (0.39) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL16201152 0.78 MAPK14 (0.36) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL16201325 0.76 MAPT (0.41) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL1554556 0.73 CSNK1D (0.44) MAPTALDH1A1KMT2AMEN1MAPK1

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 12 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-9776972-B2 Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof EPIZYME INC. (US) 2017-10-03 US disclosed
US-9732041-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-15 US disclosed
US-9732041-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-15 US disclosed
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-02 US disclosed
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-02 US disclosed
US-9346761-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-05-24 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-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
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 (3 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 MAPT 1449/4885GAA 384/4885ALDH1A1 686/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MAPT 1449/4885GAA 384/4885ALDH1A1 686/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MAPT 1526/4885GAA 738/4885ALDH1A1 895/4885

“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.