SCHEMBL9942292

SCHEMBL9942292

CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 18/20 0.79
DNMT1 P26358 1/20 0.66
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
PRMT5 O14744 1/20 0.52
PRMT7 Q9NVM4 1/20 0.52

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
SCHEMBL15395666 1.00 DOT1L (0.79) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL17307146 1.00 DOT1L (0.79) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL16202797 1.00 DOT1L (0.79) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9970226 1.00 DOT1L (0.79) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL17568778 1.00 DOT1L (0.79) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9970638 0.98 DOT1L (0.76) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9970723 0.97 DOT1L (0.75) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL16129574 0.96 DOT1L (0.78) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL15598648 0.96 DOT1L (0.78) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9940452 0.93 DOT1L (0.68) DOT1LDNMT1PI4KAPI4K2BPI4K2A

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 19 patents. 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-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-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-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-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-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-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
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
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP 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 DOT1L 1/4885DNMT1 10/4885PI4KA 3239/4885
US-20140323421-A1 Combination Therapy for Treating Cancer DOT1L, ASH1L, CARM1 DOT1L 1/4885DNMT1 65/4885PI4KA 1540/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT DOT1L 4/4885DNMT1 11/4885PI4KA 1844/4885
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 DOT1L 1/4885DNMT1 65/4885PI4KA 1540/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT DOT1L 4/4885DNMT1 11/4885PI4KA 1844/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 DOT1L 1/4885DNMT1 17/4885PI4KA 1534/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 DOT1L 1/4885DNMT1 10/4885PI4KA 3239/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 DOT1L 1/4885DNMT1 65/4885PI4KA 1540/4885

“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.