SCHEMBL16100261

SCHEMBL16100261

CNCCN(C)Cc1n[nH]c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTR2A P28223 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC6A4 P31645 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ MAP2K4 P45985 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ MAPKAPK3 Q16644 1/20 0.35
▸ MAPK6 Q16659 1/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ PARP1 P09874 2/20 0.35

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
SCHEMBL17469504 0.82 HTR2A (0.44) HTR2CKDM4EMEN1CYP2D6KMT2A
SCHEMBL16120047 0.82 HTR1D (0.39) KDM4EALDH1A1ROCK2ROCK1HTR1D
SCHEMBL17469471 0.81 TTK (0.48) KDM4EMEN1KMT2AALDH1A1PRMT1
SCHEMBL16099738 0.80 HTR2A (0.34) HTR2CKDM4EHTR2AHTR2BALDH1A1
SCHEMBL17457582 0.80 HTR2A (0.38) HTR2CKDM4EHTR2AHTR2BALDH1A1
SCHEMBL17469452 0.80 PRMT1 (0.47) PRMT1
SCHEMBL17469449 0.79 PRMT1 (0.37) KDM4EHTR2AALDH1A1LMNAHSP90AB1
SCHEMBL17469484 0.79 TTK (0.39) KDM4EALDH1A1HTR1AHTR1DPRMT1
SCHEMBL17469509 0.79 PRMT1 (0.43) HTR2CCYP2D6HTR2AHTR2BHTR1A
SCHEMBL16120045 0.79 TTK (0.39) KDM4EMOKROCK2ROCK1HTR1D

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
EP-2970220-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO 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-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR2C 4427/4885KDM4E 175/4885MEN1 1267/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR2C 4427/4885KDM4E 175/4885MEN1 1267/4885

“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.

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