SCHEMBL16099738

SCHEMBL16099738

CNC(=O)OCCN(C)Cc1n[nH]c2ccc(O)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PARP1 P09874 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ACHE P22303 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ BCHE P06276 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 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
SCHEMBL16099736 0.80 HTR2A (0.34) HTR2AHTR2CHTR2BJAK1JAK2
SCHEMBL16100261 0.80 HTR2C (0.42) HTR2AHTR2CHTR2BPARP1HSP90AB1
SCHEMBL17457582 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BJAK1JAK2
SCHEMBL16120046 0.75 HTR6 (0.36) HTR2AHTR2CHTR2BJAK1JAK2
SCHEMBL5989507 0.69 HTR2C (0.58) HTR2AHTR2CHTR2BPARP1HSP90AB1
SCHEMBL16100245 0.68 LRRK2 (0.38) NTRK1GSK3B
SCHEMBL17469504 0.67 HTR2A (0.44) HTR2AHTR2CHTR2BGSK3BKDM4E
SCHEMBL17469452 0.67 PRMT1 (0.47) —
SCHEMBL16100558 0.66 LRRK2 (0.41) JAK3NTRK1GSK3B
SCHEMBL17469501 0.66 FLT3 (0.41) SMN1; SMN2ALDH1A1

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 5 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-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
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 HTR2A 4184/4885HTR2C 4427/4885HTR2B 4433/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR2A 4184/4885HTR2C 4427/4885HTR2B 4433/4885

“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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