SCHEMBL9111157

SCHEMBL9111157

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 12/20 0.57
▸ ALDH1A1 P00352 4/20 0.31
▸ CYP1A2 P05177 4/20 0.31
▸ CYP3A4 P08684 4/20 0.31
▸ TSHR P16473 4/20 0.31
▸ CYP2C19 P33261 4/20 0.31
▸ HSD17B10 Q99714 4/20 0.31
▸ CLK4 Q9HAZ1 4/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ USP2 O75604 3/20 0.31
▸ CYP2D6 P10635 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ PRMT5 O14744 2/20 0.31
▸ WDR77 Q9BQA1 2/20 0.31
▸ CYP2C9 P11712 3/20 0.31
▸ ALOX15 P16050 2/20 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
SCHEMBL9106174 1.00 DOT1L (0.57) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9106162 1.00 DOT1L (0.57) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9110927 1.00 DOT1L (0.57) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9109724 0.93 DOT1L (0.54) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9109730 0.93 DOT1L (0.54) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9109124 0.91 DOT1L (0.50) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL10249211 0.86 DOT1L (0.50) DOT1LPRMT5WDR77
SCHEMBL9109748 0.85 DOT1L (0.44) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL10284577 0.84 DOT1L (0.50) DOT1LALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9107451 0.83 DOT1L (0.47) DOT1LALDH1A1CYP1A2CYP3A4TSHR

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 6 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-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
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 (4 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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 DOT1L 6/4885ALDH1A1 592/4885CYP1A2 2702/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 DOT1L 6/4885ALDH1A1 592/4885CYP1A2 2702/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 DOT1L 6/4885ALDH1A1 592/4885CYP1A2 2702/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 DOT1L 6/4885ALDH1A1 592/4885CYP1A2 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.

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