SCHEMBL9107364

SCHEMBL9107364

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ CYP1A2 P05177 7/20 0.37
▸ CYP3A4 P08684 7/20 0.37
▸ CYP2C19 P33261 7/20 0.37
▸ CLK4 Q9HAZ1 7/20 0.37
▸ HSD17B10 Q99714 6/20 0.37
▸ CYP2D6 P10635 6/20 0.37
▸ TSHR P16473 5/20 0.37
▸ USP2 O75604 5/20 0.37
▸ LMNA P02545 5/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HIF1A Q16665 3/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ PRMT5 O14744 3/20 0.36
▸ WDR77 Q9BQA1 3/20 0.36
▸ ADORA2A P29274 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
SCHEMBL9111037 0.89 CYP1A2 (0.39) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9108582 0.88 CYP1A2 (0.35) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9288354 0.85 CYP1A2 (0.44) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9288345 0.85 CYP1A2 (0.44) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9109338 0.84 ADORA3 (0.46) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9105989 0.84 CYP1A2 (0.39) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9282034 0.83 CYP1A2 (0.42) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9288723 0.83 CYP1A2 (0.42) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9105754 0.83 CYP1A2 (0.44) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9105747 0.83 CYP1A2 (0.44) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C19

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 ADORA3 446/4885ALDH1A1 592/4885CYP1A2 2702/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ADORA3 446/4885ALDH1A1 592/4885CYP1A2 2702/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ADORA3 446/4885ALDH1A1 592/4885CYP1A2 2702/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ADORA3 446/4885ALDH1A1 592/4885CYP1A2 2702/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ADORA3 446/4885ALDH1A1 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.

Send feedback