SCHEMBL9288399

SCHEMBL9288399

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2O[C@H](CN(CCCCc3nc4cc(C(C)(C)C)ccc4[nH]3)C(C)C)[C@H]3OC(C)(C)O[C@@H]32)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 12/20 0.38
▸ PRMT5 O14744 2/20 0.37
▸ PRMT7 Q9NVM4 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP1A2 P05177 5/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ TSHR P16473 5/20 0.33
▸ CYP2C19 P33261 5/20 0.33
▸ HSD17B10 Q99714 5/20 0.33
▸ CLK4 Q9HAZ1 5/20 0.33
▸ CYP2D6 P10635 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ USP2 O75604 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP2C9 P11712 4/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ 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
SCHEMBL9288392 1.00 DOT1L (0.38) DOT1LPRMT5PRMT7ALDH1A1CYP1A2
SCHEMBL9109730 0.88 DOT1L (0.54) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9109724 0.88 DOT1L (0.54) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9104087 0.85 DOT1L (0.46) DOT1LPRMT5ALDH1A1CYP1A2CYP3A4
SCHEMBL9104097 0.85 DOT1L (0.46) DOT1LPRMT5ALDH1A1CYP1A2CYP3A4
SCHEMBL18130000 0.84 CYP1A2 (0.38) DOT1LPRMT5PRMT7ALDH1A1CYP1A2
SCHEMBL9288530 0.83 DOT1L (0.42) DOT1LPRMT5PRMT7ALDH1A1CYP1A2
SCHEMBL9286361 0.82 CYP1A2 (0.37) DOT1LPRMT5PRMT7ALDH1A1CYP1A2
SCHEMBL9289347 0.82 DOT1L (0.57) DOT1LPRMT5PRMT7
SCHEMBL9111157 0.80 DOT1L (0.57) DOT1LPRMT5ALDH1A1CYP1A2CYP3A4

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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