SCHEMBL9106899

SCHEMBL9106899

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 10/20 0.52
▸ CYP1A2 P05177 7/20 0.33
▸ CYP3A4 P08684 7/20 0.33
▸ CYP2C19 P33261 7/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ TSHR P16473 6/20 0.33
▸ HSD17B10 Q99714 6/20 0.33
▸ CLK4 Q9HAZ1 6/20 0.33
▸ CYP2D6 P10635 6/20 0.33
▸ USP2 O75604 5/20 0.33
▸ CYP2C9 P11712 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL9109824 1.00 DOT1L (0.52) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9103615 0.96 DOT1L (0.47) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL10252539 0.95 DOT1L (0.52) DOT1LPRMT5WDR77
SCHEMBL9110956 0.94 DOT1L (0.44) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9110598 0.93 DOT1L (0.44) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9109278 0.93 DOT1L (0.44) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9107451 0.93 DOT1L (0.47) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9104052 0.93 DOT1L (0.43) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL17359695 0.93 DOT1L (0.53) DOT1LALDH1A1MEN1KMT2AMAPK1
SCHEMBL10284570 0.93 DOT1L (0.43) DOT1LCYP1A2CYP3A4CYP2C19ALDH1A1

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 16 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-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 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.

Send feedback