SCHEMBL9109166

SCHEMBL9109166

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCRL2 O00421 1/20 0.37
▸ DOT1L Q8TEK3 2/20 0.36
▸ CYP1A2 P05177 8/20 0.34
▸ CYP3A4 P08684 8/20 0.34
▸ CYP2C19 P33261 8/20 0.34
▸ CYP2D6 P10635 7/20 0.34
▸ HSD17B10 Q99714 6/20 0.34
▸ USP2 O75604 6/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ CLK4 Q9HAZ1 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ CSF1R P07333 3/20 0.33
▸ TSHR P16473 7/20 0.32
▸ CYP2C9 P11712 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALOX15 P16050 3/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL9104905 0.96 DOT1L (0.40) CCRL2DOT1LCYP1A2CYP3A4CYP2C19
SCHEMBL9104911 0.96 DOT1L (0.40) CCRL2DOT1LCYP1A2CYP3A4CYP2C19
SCHEMBL9109630 0.95 CYP1A2 (0.34) CCRL2DOT1LCYP1A2CYP3A4CYP2C19
SCHEMBL10249193 0.95 DOT1L (0.36) CCRL2DOT1LCSF1RPRMT5WDR77
SCHEMBL10284454 0.93 CYP1A2 (0.34) CCRL2DOT1LCYP1A2CYP3A4CYP2C19
SCHEMBL9109132 0.93 CYP1A2 (0.36) CCRL2DOT1LCYP1A2CYP3A4CYP2C19
SCHEMBL10249198 0.91 DOT1L (0.40) DOT1LPRMT5WDR77
SCHEMBL9106660 0.91 DOT1L (0.35) CCRL2DOT1LCYP1A2CYP3A4CYP2C19
SCHEMBL9109830 0.90 DOT1L (0.34) CCRL2DOT1LCYP1A2CYP3A4CYP2C19
SCHEMBL9109937 0.90 DOT1L (0.34) CCRL2DOT1LCYP1A2CYP3A4CYP2C19

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 17 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-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
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-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-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
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
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
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 CCRL2 3436/4885DOT1L 6/4885CYP1A2 2702/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 CCRL2 3436/4885DOT1L 6/4885CYP1A2 2702/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 CCRL2 3436/4885DOT1L 6/4885CYP1A2 2702/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 CCRL2 3436/4885DOT1L 6/4885CYP1A2 2702/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 CCRL2 3436/4885DOT1L 6/4885CYP1A2 2702/4885

“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.

Send feedback