SCHEMBL9104850

SCHEMBL9104850

COC(=O)C1CC(N(C)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
RXFP1 Q9HBX9 1/20 0.57
P2RX3 P56373 3/20 0.54
P2RX1 P51575 2/20 0.54
P2RX4 Q99571 2/20 0.54
AMD1 P17707 3/20 0.54
DNMT1 P26358 2/20 0.49
AHCY P23526 1/20 0.49
DOT1L Q8TEK3 1/20 0.45
GAA P10253 1/20 0.44
EZH2 Q15910 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
OR51E2 Q9H255 1/20 0.43

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
SCHEMBL16976155 1.00 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10284449 0.91 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15509286 0.90 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9108235 0.90 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9108231 0.90 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9913533 0.90 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9106765 0.89 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10249138 0.87 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9108504 0.87 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18127419 0.86 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1

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 18 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
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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US 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-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-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
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
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 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885

“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.