SCHEMBL9109338

SCHEMBL9109338

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ METTL3 Q86U44 1/20 0.44
▸ METTL14 Q9HCE5 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ CYP1A2 P05177 5/20 0.44
▸ CYP3A4 P08684 5/20 0.44
▸ TSHR P16473 5/20 0.44
▸ CYP2C19 P33261 5/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ CLK4 Q9HAZ1 5/20 0.44
▸ CYP2D6 P10635 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ USP2 O75604 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ PI4KA P42356 1/20 0.44

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
SCHEMBL9105754 0.92 CYP1A2 (0.44) ADORA3ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL9105747 0.92 CYP1A2 (0.44) ADORA3ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL9288345 0.91 CYP1A2 (0.44) ADORA3ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL9288354 0.91 CYP1A2 (0.44) ADORA3ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL9288723 0.89 CYP1A2 (0.42) ADORA3ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL9282034 0.89 CYP1A2 (0.42) ADORA3ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL16433237 0.88 CYP1A2 (0.41) ADORA3ADORA2AADORA1METTL3METTL14
SCHEMBL16433238 0.88 CYP1A2 (0.41) ADORA3ADORA2AADORA1METTL3METTL14
SCHEMBL24314227 0.86 ADORA3 (0.44) ADORA3ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL23273892 0.86 ADORA3 (0.44) ADORA3ADORA2AADORA1ALDH1A1CYP1A2

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 23 patents — showing the first 20. 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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 — — 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-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2018-10-04 — — 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
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 — — EP disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 — — US 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-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 — — US disclosed
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 — — US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 — — US disclosed
EP-2646444-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2013-10-09 — — EP disclosed
EP-2646454-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 — — EP disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 — — WO disclosed
WO-2012075500-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-07 — — WO disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 — — 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 (12 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 ADORA3 1945/4885ADORA2A 1185/4885ADORA1 2523/4885
US-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ADORA3 446/4885ADORA2A 182/4885ADORA1 186/4885
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof TPMT, HNMT, EHMT1 ADORA3 1945/4885ADORA2A 1185/4885ADORA1 2523/4885
US-11603570-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR ADORA3 4843/4885ADORA2A 4832/4885ADORA1 4855/4885
US-10407732-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR ADORA3 4842/4885ADORA2A 4843/4885ADORA1 4847/4885
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF TPMT, HNMT, EHMT1 ADORA3 1945/4885ADORA2A 1185/4885ADORA1 2523/4885
US-20160298195-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MLLT1, MCL1, BCR ADORA3 4842/4885ADORA2A 4843/4885ADORA1 4847/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ADORA3 446/4885ADORA2A 182/4885ADORA1 186/4885
US-20200239963-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MLLT1, MCL1, BCR ADORA3 4843/4885ADORA2A 4832/4885ADORA1 4855/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ADORA3 446/4885ADORA2A 182/4885ADORA1 186/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ADORA3 446/4885ADORA2A 182/4885ADORA1 186/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ADORA3 446/4885ADORA2A 182/4885ADORA1 186/4885

“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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