SCHEMBL9108582

SCHEMBL9108582

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2O[C@H](CNC3CC(CCC(=O)OCc4ccccc4)C3)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.35
▸ CYP3A4 P08684 6/20 0.35
▸ CYP2C19 P33261 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ TSHR P16473 5/20 0.35
▸ HSD17B10 Q99714 5/20 0.35
▸ CLK4 Q9HAZ1 5/20 0.35
▸ CYP2C9 P11712 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ METTL3 Q86U44 2/20 0.34
▸ METTL14 Q9HCE5 1/20 0.34
▸ CYP2D6 P10635 5/20 0.33
▸ USP2 O75604 4/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL9232715 0.89 DOT1L (0.36) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL9108491 0.89 DOT1L (0.36) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL9107364 0.88 ADORA3 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL9275527 0.83 DOT1L (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL9288247 0.81 MAPT (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL9104853 0.81 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL9104849 0.81 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL9109945 0.81 MAPT (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL9913561 0.80 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL9288354 0.80 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR

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 10 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
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-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 CYP1A2 2702/4885CYP3A4 3134/4885CYP2C19 4012/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 CYP1A2 2702/4885CYP3A4 3134/4885CYP2C19 4012/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 CYP1A2 2702/4885CYP3A4 3134/4885CYP2C19 4012/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 CYP1A2 2702/4885CYP3A4 3134/4885CYP2C19 4012/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 CYP1A2 2702/4885CYP3A4 3134/4885CYP2C19 4012/4885

“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