SCHEMBL21609618

SCHEMBL21609618

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ FUT5 Q11128 1/20 0.51
▸ P2RY2 P41231 1/20 0.48
▸ P2RY4 P51582 1/20 0.48
▸ P2RY6 Q15077 1/20 0.48
▸ NT5E P21589 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ HINT1 P49773 1/20 0.44
▸ F2 P00734 2/20 0.44
▸ KRAS P01116 3/20 0.43
▸ TERT O14746 1/20 0.43

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
SCHEMBL21609617 1.00 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924348 1.00 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924422 1.00 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL14750407 1.00 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924553 1.00 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL14750417 1.00 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL19954095 0.95 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20710405 0.94 POLB (0.62) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20832624 0.94 POLB (0.62) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL16156404 0.90 POLB (0.52) POLBFUT5P2RY2P2RY4P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058705-B2 Drug formulations ASTEX PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-20200352976-A1 HYPOMETHYLATING AGENTS FOR USE IN TREATMENT OF CANCER ASTEX PHARMACEUTICALS, INC. 2020-11-12 — — US disclosed
WO-2020227297-A1 HYPOMETHYLATING AGENTS FOR USE IN TREATMENT OF CANCER OTSUKA PHARMACEUTICAL CO., LTD (JP) 2020-11-12 — — WO disclosed
US-20200155588-A1 DRUG FORMULATIONS ASTEX PHARMACEUTICALS, INC. 2020-05-21 — — US disclosed
US-10517886-B2 Drug formulations ASTEX PHARMACEUTICALS, INC. (US) 2019-12-31 — — 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 (4 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-20200155588-A1 DRUG FORMULATIONS MCL1, DNMT3A, TET2 POLB 677/4885FUT5 3024/4885P2RY2 4299/4885
US-11058705-B2 Drug formulations MCL1, DNMT3A, TET2 POLB 677/4885FUT5 3024/4885P2RY2 4299/4885
US-20200352976-A1 HYPOMETHYLATING AGENTS FOR USE IN TREATMENT OF CANCER DNMT1, MGMT, UNG POLB 82/4885FUT5 864/4885P2RY2 3883/4885
US-10517886-B2 Drug formulations MCL1, DNMT3A, TET2 POLB 677/4885FUT5 3024/4885P2RY2 4299/4885

“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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