SCHEMBL9111037

SCHEMBL9111037

COC(=O)CC1CC(N(C)C[C@H]2O[C@@H](n3ccc4c(NCc5ccc(OC)cc5OC)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.39
▸ CYP3A4 P08684 8/20 0.39
▸ CYP2C19 P33261 8/20 0.39
▸ HSD17B10 Q99714 7/20 0.39
▸ CYP2D6 P10635 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ CLK4 Q9HAZ1 6/20 0.39
▸ USP2 O75604 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ ADORA3 P0DMS8 4/20 0.38
▸ TSHR P16473 6/20 0.37
▸ CYP2C9 P11712 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ PRMT5 O14744 2/20 0.36
▸ WDR77 Q9BQA1 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9105989 0.95 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9107364 0.89 ADORA3 (0.38) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9109089 0.87 DOT1L (0.39) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9287609 0.86 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9110014 0.84 DOT1L (0.39) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9109338 0.83 ADORA3 (0.46) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9108164 0.82 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9108172 0.82 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9104097 0.82 DOT1L (0.46) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL9104087 0.82 DOT1L (0.46) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6

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.

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