SCHEMBL9107837

SCHEMBL9107837

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2C[C@H](CN(C)C3CC(CCc4nc5cc(C6COC6)ccc5[nH]4)C3)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 4/20 0.42
▸ CYP1A2 P05177 9/20 0.33
▸ CYP3A4 P08684 9/20 0.33
▸ CYP2C19 P33261 8/20 0.33
▸ ALDH1A1 P00352 8/20 0.33
▸ CLK4 Q9HAZ1 8/20 0.33
▸ HSD17B10 Q99714 7/20 0.33
▸ CYP2D6 P10635 7/20 0.33
▸ USP2 O75604 7/20 0.33
▸ TSHR P16473 6/20 0.33
▸ CYP2C9 P11712 6/20 0.33
▸ LMNA P02545 6/20 0.33
▸ HIF1A Q16665 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ MAPK1 P28482 4/20 0.32
▸ PRMT5 O14744 4/20 0.32
▸ WDR77 Q9BQA1 3/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL9104052 0.92 DOT1L (0.43) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL10284570 0.92 DOT1L (0.43) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9103615 0.91 DOT1L (0.47) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9109824 0.91 DOT1L (0.52) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9106899 0.91 DOT1L (0.52) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9109748 0.90 DOT1L (0.44) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9105661 0.90 DOT1L (0.45) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9108092 0.90 DOT1L (0.42) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9109155 0.87 DOT1L (0.44) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL10249157 0.86 DOT1L (0.43) DOT1LPRMT5WDR77

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 9 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
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 6/4885CYP1A2 2702/4885CYP3A4 3134/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 DOT1L 6/4885CYP1A2 2702/4885CYP3A4 3134/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 DOT1L 6/4885CYP1A2 2702/4885CYP3A4 3134/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 DOT1L 6/4885CYP1A2 2702/4885CYP3A4 3134/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 DOT1L 6/4885CYP1A2 2702/4885CYP3A4 3134/4885

“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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