SCHEMBL9288530

SCHEMBL9288530

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2O[C@H](CN(CCCCC(=O)Nc3ccc(C(C)(C)C)cc3N)C(C)C)[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 12/20 0.42
▸ PRMT5 O14744 2/20 0.42
▸ PRMT7 Q9NVM4 1/20 0.42
▸ DNMT1 P26358 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ WDR77 Q9BQA1 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
SCHEMBL9106858 0.88 DOT1L (0.42) DOT1LPRMT5PRMT7ADORA3USP2
SCHEMBL9286361 0.87 CYP1A2 (0.37) DOT1LPRMT5PRMT7ADORA3USP2
SCHEMBL9109089 0.85 DOT1L (0.39) DOT1LPRMT5ADORA3USP2ALDH1A1
SCHEMBL9289347 0.85 DOT1L (0.57) DOT1LPRMT5PRMT7DNMT1
SCHEMBL18130000 0.85 CYP1A2 (0.38) DOT1LPRMT5PRMT7ADORA3USP2
SCHEMBL9288399 0.83 DOT1L (0.38) DOT1LPRMT5PRMT7USP2ALDH1A1
SCHEMBL9288392 0.83 DOT1L (0.38) DOT1LPRMT5PRMT7USP2ALDH1A1
SCHEMBL9275527 0.82 DOT1L (0.39) DOT1LPRMT5PRMT7ADORA3USP2
SCHEMBL9286291 0.79 CYP1A2 (0.40) DOT1LADORA3USP2ALDH1A1LMNA
SCHEMBL9281459 0.78 DOT1L (0.56) DOT1LPRMT5PRMT7DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. 2016-09-01 — — US disclosed
US-9145438-B2 7-deazapurine modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-09-29 — — US disclosed
EP-2646454-B1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF EPIZYME INC (US) 2015-07-08 — — EP disclosed
US-8722877-B2 7-deazapurine modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2014-05-13 — — US disclosed
US-20140073597-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2014-03-13 — — US disclosed
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 — — US disclosed
EP-2646454-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 — — EP disclosed
WO-2012075500-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-07 — — 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 (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-20140073597-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof TPMT, HNMT, EHMT1 DOT1L 5/4885PRMT5 43/4885PRMT7 41/4885
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof TPMT, HNMT, EHMT1 DOT1L 5/4885PRMT5 43/4885PRMT7 41/4885
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF TPMT, HNMT, EHMT1 DOT1L 5/4885PRMT5 43/4885PRMT7 41/4885

“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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