SCHEMBL9280202

SCHEMBL9280202

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.60
▸ METTL14 Q9HCE5 1/20 0.60
▸ ADORA1 P30542 3/20 0.57
▸ ADORA3 P0DMS8 2/20 0.57
▸ ADORA2A P29274 2/20 0.57
▸ ADK P55263 1/20 0.57
▸ TSHR P16473 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ STAT6 P42226 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ PRKAG1 P54619 1/20 0.50
▸ PRKAA1 Q13131 1/20 0.50
▸ PRKAB1 Q9Y478 1/20 0.50
▸ SLC28A2 O43868 1/20 0.50

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
SCHEMBL640190 0.87 ADORA1 (0.75) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL17825998 0.87 ADORA1 (0.75) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL19583130 0.87 ADORA1 (0.75) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL640189 0.87 ADORA1 (0.75) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL30411984 0.86 ADORA1 (0.74) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL9109338 0.86 ADORA3 (0.46) METTL3METTL14ADORA1ADORA3ADORA2A
SCHEMBL27090409 0.85 ADORA1 (0.54) ADORA1ADORA3ADORA2AADKPRKAG1
SCHEMBL29611607 0.85 ADORA1 (0.54) ADORA1ADORA3ADORA2AADKPRKAG1
SCHEMBL25170457 0.81 ADORA1 (0.54) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL19583146 0.80 ADORA3 (0.83) ADORA1ADORA3ADORA2ATSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11603570-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-03-14 — — US disclosed
US-20200239963-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-07-30 — — US disclosed
EP-3027774-B1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-07-15 — — EP disclosed
US-10407732-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-09-10 — — US disclosed
US-20160298195-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MEMORIAL SLOAN KETTERING CANCER CENTER 2016-10-13 — — US disclosed
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. 2016-09-01 — — US disclosed
US-9145438-B2 7-deazapurine modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-09-29 — — US disclosed
EP-2646454-B1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF EPIZYME INC (US) 2015-07-08 — — EP disclosed
US-8722877-B2 7-deazapurine modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2014-05-13 — — US disclosed
US-20140073597-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2014-03-13 — — US disclosed
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 — — US disclosed
EP-2646454-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 — — EP disclosed
WO-2012075500-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-07 — — 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 (7 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-20140073597-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof TPMT, HNMT, EHMT1 METTL3 205/4885METTL14 374/4885ADORA1 2523/4885
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof TPMT, HNMT, EHMT1 METTL3 205/4885METTL14 374/4885ADORA1 2523/4885
US-11603570-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR METTL3 2661/4885METTL14 2982/4885ADORA1 4855/4885
US-10407732-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR METTL3 1859/4885METTL14 2494/4885ADORA1 4847/4885
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF TPMT, HNMT, EHMT1 METTL3 205/4885METTL14 374/4885ADORA1 2523/4885
US-20160298195-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MLLT1, MCL1, BCR METTL3 1859/4885METTL14 2494/4885ADORA1 4847/4885
US-20200239963-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MLLT1, MCL1, BCR METTL3 2661/4885METTL14 2982/4885ADORA1 4855/4885

“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.

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