Sugi Predict

Sugi Predict / Compounds / SCHEMBL9970171

SCHEMBL9970171

SCHEMBL9970171

CC(C)(C)OC(=O)NCCCCN(CCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.56
▸ PI4KA P42356 1/20 0.54
▸ PI4K2B Q8TCG2 1/20 0.54
▸ PI4K2A Q9BTU6 1/20 0.54
▸ PI4KB Q9UBF8 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.51
▸ P2RX1 P51575 1/20 0.49
▸ P2RX3 P56373 1/20 0.49
▸ P2RX4 Q99571 1/20 0.49
▸ WDR5 P61964 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RBBP5 Q15291 1/20 0.48
▸ DPY30 Q9C005 1/20 0.48
▸ ASH2L Q9UBL3 1/20 0.48
▸ PRMT1 Q99873 8/20 0.47
▸ CARM1 Q86X55 3/20 0.46
▸ PRKACA P17612 2/20 0.46
▸ AMD1 P17707 1/20 0.45

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
SCHEMBL15598668 0.89 DOT1L (0.58) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9970170 0.89 DOT1L (0.58) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15395682 0.88 PI4KA (0.51) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15829533 0.87 DOT1L (0.59) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL16204645 0.87 DOT1L (0.59) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL17777358 0.87 DOT1L (0.60) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9970251 0.86 DOT1L (0.63) DOT1L
SCHEMBL9970738 0.85 DOT1L (0.62) DOT1L
SCHEMBL14703565 0.85 DOT1L (0.49) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL804138 0.85 DOT1L (0.49) DOT1LPI4KAPI4K2BPI4K2API4KB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2020-04-16 — — US disclosed
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2019-04-04 — — 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-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-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
WO-2014026198-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2014-02-13 — — WO 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 (9 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 1/4885PI4KA 3239/4885PI4K2B 3276/4885
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 DOT1L 1/4885PI4KA 3239/4885PI4K2B 3276/4885
US-20140323421-A1 Combination Therapy for Treating Cancer DOT1L, ASH1L, CARM1 DOT1L 1/4885PI4KA 1540/4885PI4K2B 1677/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT DOT1L 4/4885PI4KA 1844/4885PI4K2B 1901/4885
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 DOT1L 1/4885PI4KA 1540/4885PI4K2B 1677/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 DOT1L 1/4885PI4KA 1534/4885PI4K2B 1566/4885
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 DOT1L 1/4885PI4KA 1534/4885PI4K2B 1566/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 DOT1L 1/4885PI4KA 3239/4885PI4K2B 3276/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 DOT1L 1/4885PI4KA 1540/4885PI4K2B 1677/4885

“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.