SCHEMBL9915115

SCHEMBL9915115

CC1(C)O[C@@H]2[C@@H](CS)OC(n3ccc4c(N)ncnc43)[C@@H]2O1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.55
▸ PI4K2B Q8TCG2 1/20 0.55
▸ PI4K2A Q9BTU6 1/20 0.55
▸ PI4KB Q9UBF8 1/20 0.55
▸ ADK P55263 1/20 0.55
▸ PRMT5 O14744 13/20 0.53
▸ WDR77 Q9BQA1 12/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.48
▸ RAPGEF3 O95398 1/20 0.46
▸ P2RX1 P51575 1/20 0.44
▸ P2RX3 P56373 1/20 0.44
▸ P2RX4 Q99571 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
SCHEMBL15397029 0.90 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL22334075 0.90 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL22434784 0.90 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL22334076 0.90 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL18572642 0.88 PRMT5 (0.56) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL16882801 0.88 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL15506579 0.88 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL18572643 0.86 PRMT5 (0.53) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL18571936 0.85 PRMT5 (0.53) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL18572224 0.84 PRMT5 (0.52) PI4KAPI4K2BPI4K2API4KBADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. 2016-09-01 — — 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
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-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-20140073597-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2014-03-13 — — US 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 (2 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 PI4KA 1952/4885PI4K2B 2232/4885PI4K2A 2346/4885
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF TPMT, HNMT, EHMT1 PI4KA 1952/4885PI4K2B 2232/4885PI4K2A 2346/4885

“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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