SCHEMBL9970635

SCHEMBL9970635

CN(CCN(C)C(=O)OCc1ccccc1)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
AHCY P23526 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
P2RX1 P51575 1/20 0.51
P2RX3 P56373 1/20 0.51
P2RX4 Q99571 1/20 0.51
DOT1L Q8TEK3 4/20 0.51
EZH2 Q15910 1/20 0.49
AMD1 P17707 4/20 0.48
GNMT Q14749 1/20 0.46
P2RY12 Q9H244 2/20 0.45
P2RY2 P41231 1/20 0.44
P2RY1 P47900 1/20 0.44
NT5E P21589 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
SCHEMBL15829716 0.89 DOT1L (0.61) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL16705108 0.89 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9970202 0.89 DOT1L (0.61) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9970636 0.87 DOT1L (0.63) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9970247 0.86 DOT1L (0.52) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9970574 0.85 DOT1L (0.54) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9970320 0.83 DOT1L (0.57) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9970162 0.83 DOT1L (0.57) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5055547 0.83 DOT1L (0.51) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5055553 0.83 DOT1L (0.51) PI4KAPI4K2BPI4K2API4KBAHCY

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2017-05-18 US disclosed
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2017-05-18 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-9446064-B2 Combination therapy for treating cancer Epizyme, Inc. (US) 2016-09-20 US disclosed
US-9446064-B2 Combination therapy for treating cancer Epizyme, Inc. (US) 2016-09-20 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2016-02-18 US disclosed
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2016-02-18 US disclosed
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2015-12-03 US disclosed
US-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2015-10-08 US disclosed
US-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2015-10-08 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20140323421-A1 Combination Therapy for Treating Cancer Epizyme, Inc. (US) 2014-10-30 US disclosed
US-20140323421-A1 Combination Therapy for Treating Cancer Epizyme, Inc. (US) 2014-10-30 US disclosed
WO-2014153001-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. (US) 2014-09-25 WO disclosed
WO-2014100662-A1 DOT1 L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. (US) 2014-06-26 WO disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO 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 (8 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-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 PI4KA 3239/4885PI4K2B 3276/4885PI4K2A 3234/4885
US-20140323421-A1 Combination Therapy for Treating Cancer DOT1L, ASH1L, CARM1 PI4KA 1540/4885PI4K2B 1677/4885PI4K2A 1640/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT PI4KA 1844/4885PI4K2B 1901/4885PI4K2A 1942/4885
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 PI4KA 1540/4885PI4K2B 1677/4885PI4K2A 1640/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT PI4KA 1844/4885PI4K2B 1901/4885PI4K2A 1942/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 PI4KA 1534/4885PI4K2B 1566/4885PI4K2A 1658/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 PI4KA 3239/4885PI4K2B 3276/4885PI4K2A 3234/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 PI4KA 1540/4885PI4K2B 1677/4885PI4K2A 1640/4885

“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.