SCHEMBL803939

SCHEMBL803939

CCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C2OC(C)(C)O[C@@H]21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.71
PI4K2B Q8TCG2 2/20 0.71
PI4K2A Q9BTU6 2/20 0.71
PI4KB Q9UBF8 2/20 0.71
RXFP1 Q9HBX9 1/20 0.62
P2RX1 P51575 1/20 0.57
P2RX3 P56373 1/20 0.57
P2RX4 Q99571 1/20 0.57
AMD1 P17707 2/20 0.56
ADORA3 P0DMS8 2/20 0.52
ADORA2A P29274 2/20 0.52
ADORA2B P29275 2/20 0.52
ADORA1 P30542 2/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90B1 P14625 1/20 0.52
GAA P10253 1/20 0.50
EHMT1 Q9H9B1 1/20 0.50
AHCY P23526 1/20 0.48
DOT1L Q8TEK3 2/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL15395521 1.00 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14703568 1.00 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14703570 1.00 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17108373 0.94 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17773142 0.94 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940478 0.92 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970645 0.92 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940483 0.92 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9104337 0.88 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940465 0.88 PI4KA (0.77) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949999-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2018-04-24 US disclosed
US-20170065628-A1 Inhibitors of Human EZH2, and Methods of Use Thereof Epizyme, Inc. 2017-03-09 US disclosed
US-20170065600-A1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF Epizyme, Inc. 2017-03-09 US disclosed
US-9333217-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2016-05-10 US disclosed
US-20150141362-A1 Inhibitors of Human EZH2, and Methods of Use Thereof Epizyme, Inc. 2015-05-21 US disclosed
US-8895245-B2 Inhibitors of human EZH2 and methods of use thereof Epizyme, Inc. (US) 2014-11-25 US disclosed
US-8691507-B2 Inhibitors of human EZH2 and methods of use thereof Epizyme, Inc. (US) 2014-04-08 US disclosed
US-20130303555-A1 Inhibitors of Human EZH2 and Methods of Use Thereof Epizyme, Inc. 2013-11-14 US disclosed
US-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof Epizyme, Inc. (US) 2012-03-22 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-20130303555-A1 Inhibitors of Human EZH2 and Methods of Use Thereof EZH2, DOT1L, PRDM7 PI4KA 3382/4885PI4K2B 3533/4885PI4K2A 3708/4885
US-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof EZH2, DOT1L, PRDM7 PI4KA 3240/4885PI4K2B 3228/4885PI4K2A 3574/4885
US-20170065600-A1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF EZH2, DOT1L, PRDM7 PI4KA 3144/4885PI4K2B 3147/4885PI4K2A 3473/4885
US-20170065628-A1 Inhibitors of Human EZH2, and Methods of Use Thereof EZH2, DOT1L, PRDM7 PI4KA 3144/4885PI4K2B 3147/4885PI4K2A 3473/4885
US-20150141362-A1 Inhibitors of Human EZH2, and Methods of Use Thereof EZH2, DOT1L, PRDM7 PI4KA 3144/4885PI4K2B 3147/4885PI4K2A 3473/4885

“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.