SCHEMBL16201406

SCHEMBL16201406

CCCN(C)Cc1c[nH]nc1-c1cc(Cl)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RECQL P46063 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PYCR1 P32322 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
CARM1 Q86X55 2/20 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
SCHEMBL16201399 0.92 SLC6A2 (0.35) TDP1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL16201246 0.90 CARM1 (0.41) TDP1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL16201352 0.86 CRHR1 (0.43) TDP1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL16201408 0.86 L3MBTL1 (0.45) TDP1LMNAKDM4ERECQLSLC6A2
SCHEMBL16201404 0.85 CRHR1 (0.44) TDP1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL16201351 0.84 LMNA (0.44) TDP1LMNAKDM4ERECQLMEN1
SCHEMBL16201221 0.82 CARM1 (0.40) TDP1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL16201375 0.82 NISCH (0.36) TDP1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL16201367 0.82 ALDH1A1 (0.35) TDP1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL16201348 0.82 NISCH (0.36) TDP1KDM4ESLC6A2SLC6A4SLC6A3

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 TDP1 317/4885CYP1A2 1176/4885CYP2D6 1328/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 TDP1 375/4885CYP1A2 728/4885CYP2D6 1105/4885

“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.