SCHEMBL9106854

SCHEMBL9106854

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2C[C@H](CN(C)C3CC(CCC(=O)O)C3)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 13/20 0.39
▸ CYP3A4 P08684 13/20 0.39
▸ CYP2C19 P33261 13/20 0.39
▸ CYP2D6 P10635 11/20 0.39
▸ HSD17B10 Q99714 10/20 0.39
▸ ALDH1A1 P00352 10/20 0.39
▸ CLK4 Q9HAZ1 10/20 0.39
▸ USP2 O75604 8/20 0.39
▸ LMNA P02545 7/20 0.39
▸ MAPK1 P28482 6/20 0.39
▸ TSHR P16473 9/20 0.37
▸ CYP2C9 P11712 6/20 0.37
▸ HIF1A Q16665 4/20 0.37
▸ ALOX15 P16050 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ DOT1L Q8TEK3 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CCRL2 O00421 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
SCHEMBL9106866 1.00 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9108164 0.95 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9108172 0.95 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9106404 0.93 MAPT (0.38) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9105187 0.93 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9110994 0.92 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9111008 0.92 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL20515397 0.92 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9107011 0.92 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9110662 0.91 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10

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 11 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
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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