SCHEMBL9109953

SCHEMBL9109953

CCOC(=O)CC(N)C1CC(NC[C@H]2C[C@@H](n3ccc4c(NCc5ccc(OC)cc5OC)ncnc43)[C@@H]3OC(C)(C)O[C@H]23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 12/20 0.34
▸ CYP3A4 P08684 12/20 0.34
▸ CYP2C19 P33261 11/20 0.34
▸ CLK4 Q9HAZ1 11/20 0.34
▸ CYP2D6 P10635 10/20 0.34
▸ ALDH1A1 P00352 9/20 0.34
▸ HSD17B10 Q99714 9/20 0.34
▸ USP2 O75604 8/20 0.34
▸ LMNA P02545 7/20 0.34
▸ MAPK1 P28482 7/20 0.34
▸ TSHR P16473 6/20 0.34
▸ HIF1A Q16665 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP2C9 P11712 6/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32

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
SCHEMBL9288247 0.89 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2C19CLK4
Ammonia Solution, Strong SCHEMBL9109945 0.88 MAPT (0.38) MAPTCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL9104849 0.85 CYP1A2 (0.37) MAPTCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL9104853 0.85 CYP1A2 (0.37) MAPTCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL9913561 0.84 CYP1A2 (0.37) MAPTCYP1A2CYP3A4CYP2C19CLK4
Ammonia Solution, Strong SCHEMBL20515422 0.83 CYP1A2 (0.35) MAPTCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL10248935 0.83 CYP1A2 (0.38) MAPTCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL9913615 0.81 CYP1A2 (0.37) MAPTCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL9107004 0.81 CYP1A2 (0.42) MAPTCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL9106218 0.81 CYP1A2 (0.44) MAPTCYP1A2CYP3A4CYP2C19CLK4

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 9 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
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 (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 MAPT 1522/4885CYP1A2 2702/4885CYP3A4 3134/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 MAPT 1522/4885CYP1A2 2702/4885CYP3A4 3134/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 MAPT 1522/4885CYP1A2 2702/4885CYP3A4 3134/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 MAPT 1522/4885CYP1A2 2702/4885CYP3A4 3134/4885

“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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