SCHEMBL9106910

SCHEMBL9106910

CCOC(=O)CCC1CC(N(C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)C(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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 0.52
P2RX3 P56373 3/20 0.49
P2RX1 P51575 2/20 0.49
P2RX4 Q99571 2/20 0.49
AMD1 P17707 2/20 0.48
DOT1L Q8TEK3 7/20 0.47
HSP90B1 P14625 1/20 0.45
GAA P10253 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
SCHEMBL15509300 1.00 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL23776568 1.00 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9106917 1.00 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9913520 1.00 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL30277435 1.00 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18648520 0.96 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9105206 0.91 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9105267 0.91 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9913608 0.91 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9106847 0.91 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1

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 20 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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-10881680-B2 Method of treating leukemia Epizyme, Inc. (US) 2021-01-05 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-20190216838-A1 METHOD OF TREATING LEUKEMIA Epizyme, Inc. 2019-07-18 US disclosed
US-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2018-10-04 US disclosed
US-9597348-B2 Method of treating leukemia Epizyme, Inc. (US) 2017-03-21 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
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP 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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-20150216890-A1 METHOD OF TREATING LEUKEMIA Epizyme, Inc. (US) 2015-08-06 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US 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-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885
US-10881680-B2 Method of treating leukemia DOT1L, MCL1, CARM1 PI4KA 2351/4885PI4K2B 2334/4885PI4K2A 2248/4885
US-20150216890-A1 METHOD OF TREATING LEUKEMIA DOT1L, MCL1, CARM1 PI4KA 2351/4885PI4K2B 2334/4885PI4K2A 2248/4885
US-20190216838-A1 METHOD OF TREATING LEUKEMIA DOT1L, MCL1, CARM1 PI4KA 2351/4885PI4K2B 2334/4885PI4K2A 2248/4885
US-11603570-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR PI4KA 3164/4885PI4K2B 2613/4885PI4K2A 2893/4885
US-10407732-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR PI4KA 3675/4885PI4K2B 3671/4885PI4K2A 3793/4885
US-20160298195-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MLLT1, MCL1, BCR PI4KA 3675/4885PI4K2B 3671/4885PI4K2A 3793/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885
US-20200239963-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MLLT1, MCL1, BCR PI4KA 3164/4885PI4K2B 2613/4885PI4K2A 2893/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 PI4KA 3070/4885PI4K2B 3345/4885PI4K2A 3188/4885

“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.