SCHEMBL16678590

SCHEMBL16678590

Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.82
▸ P2RY2 P41231 1/20 0.68
▸ P2RY4 P51582 1/20 0.68
▸ P2RY6 Q15077 1/20 0.68
▸ NT5E P21589 2/20 0.60
▸ TGM2 P21980 1/20 0.56
▸ IMPDH2 P12268 5/20 0.54
▸ TAS1R3 Q7RTX0 2/20 0.54
▸ TAS1R1 Q7RTX1 2/20 0.54
▸ IMPDH1 P20839 1/20 0.54
▸ FUT5 Q11128 1/20 0.54
▸ TYMS P04818 1/20 0.54
▸ KRAS P01116 1/20 0.53

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
SCHEMBL25171429 1.00 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL17117812 1.00 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL18785118 1.00 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL48232 1.00 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL1971161 1.00 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL2231785 0.99 POLB (0.81) POLBP2RY2P2RY4P2RY6NT5E
Water SCHEMBL7247857 0.99 POLB (0.81) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL29258727 0.96 POLB (0.77) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL30927571 0.96 POLB (0.77) POLBP2RY2P2RY4P2RY6NT5E
Triphosphate SCHEMBL27909453 0.96 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 — — US disclosed
EP-3612181-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme Inc (US) 2020-02-26 — — EP disclosed
WO-2018195450-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-10-25 — — WO disclosed
US-20180064811-A1 PHARMACEUTICAL COMBINATIONS COMPRISING CD33 ANTIBODIES AND DE-METHYLATING AGENTS BOEHRINGER INGELHEIM INT (DE) 2018-03-08 — — US disclosed
EP-3066125-A2 PHARMACEUTICAL COMBINATIONS COMPRISING CD33 ANTIBODIES AND DE-METHYLATING AGENTS Boehringer Ingelheim International GmbH (DE) 2016-09-14 — — EP disclosed
WO-2015067570-A2 PHARMACEUTICAL COMBINATIONS COMPRISING CD33 ANTIBODIES AND DE-METHYLATING AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-14 — — WO disclosed
US-20150125447-A1 PHARMACEUTICAL COMBINATIONS COMPRISING CD33 ANTIBODIES AND DE-METHYLATING AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-07 — — 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 (1 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 POLB 893/4885P2RY2 4349/4885P2RY4 4702/4885

“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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