SCHEMBL9106858

SCHEMBL9106858

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2O[C@H](CN(C(C)C)C3CC(CCC(=O)Nc4ccc(C(C)(C)C)cc4N)C3)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 11/20 0.42
▸ PRMT5 O14744 2/20 0.33
▸ PRMT7 Q9NVM4 1/20 0.33
▸ CCRL2 O00421 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL9109089 0.89 DOT1L (0.39) DOT1LPRMT5CCRL2ADORA3USP2
SCHEMBL9110014 0.89 DOT1L (0.39) DOT1LPRMT5CCRL2ADORA3USP2
SCHEMBL9288530 0.88 DOT1L (0.42) DOT1LPRMT5PRMT7ADORA3USP2
SCHEMBL9104905 0.86 DOT1L (0.40) DOT1LPRMT5CCRL2USP2ALDH1A1
SCHEMBL9104911 0.86 DOT1L (0.40) DOT1LPRMT5CCRL2USP2ALDH1A1
SCHEMBL9104458 0.85 DOT1L (0.34) DOT1LCCRL2USP2ALDH1A1LMNA
SCHEMBL9106660 0.84 DOT1L (0.35) DOT1LCCRL2ADORA3USP2ALDH1A1
SCHEMBL9109830 0.84 DOT1L (0.34) DOT1LPRMT5CCRL2USP2ALDH1A1
SCHEMBL9109937 0.84 DOT1L (0.34) DOT1LCCRL2USP2ALDH1A1LMNA
SCHEMBL9104375 0.84 DOT1L (0.39) DOT1LCCRL2USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 — — US disclosed
US-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2018-10-04 — — US disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 — — EP disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 — — US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 — — US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 — — US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 — — US disclosed
EP-2646444-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2013-10-09 — — EP disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 — — WO disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 — — 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 (5 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-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 DOT1L 6/4885PRMT5 37/4885PRMT7 65/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 DOT1L 6/4885PRMT5 37/4885PRMT7 65/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 DOT1L 6/4885PRMT5 37/4885PRMT7 65/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 DOT1L 6/4885PRMT5 37/4885PRMT7 65/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 DOT1L 6/4885PRMT5 37/4885PRMT7 65/4885

“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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