SCHEMBL9106857

SCHEMBL9106857

CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)C1CC(CCC(=O)O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.59
PI4K2B Q8TCG2 1/20 0.59
PI4K2A Q9BTU6 1/20 0.59
PI4KB Q9UBF8 1/20 0.59
RXFP1 Q9HBX9 1/20 0.53
P2RX3 P56373 3/20 0.51
P2RX1 P51575 2/20 0.51
P2RX4 Q99571 2/20 0.51
AMD1 P17707 2/20 0.51
WDR5 P61964 3/20 0.44
KMT2A Q03164 3/20 0.44
RBBP5 Q15291 3/20 0.44
DPY30 Q9C005 3/20 0.44
ASH2L Q9UBL3 3/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 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
SCHEMBL9913663 0.92 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17591118 0.92 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9106498 0.92 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9106847 0.89 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9913608 0.89 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9106934 0.89 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10248894 0.89 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9106676 0.88 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18648507 0.85 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9109071 0.85 PI4KA (0.48) 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 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 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.