SCHEMBL21609615

SCHEMBL21609615

Nc1ncn([C@H]2CC(OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)CC3OC(=O)c3ccccc3)[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
P2RY2 P41231 1/20 0.49
P2RY4 P51582 1/20 0.49
P2RY6 Q15077 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
FUT5 Q11128 1/20 0.47
PNP P00491 1/20 0.45
GSK3A P49840 2/20 0.45
RPS6KA3 P51812 2/20 0.45
MAPK14 Q16539 2/20 0.45
NT5E P21589 1/20 0.44
TGM2 P21980 1/20 0.43
HINT1 P49773 1/20 0.43
P2RY1 P47900 1/20 0.42
F2 P00734 1/20 0.42
P2RX3 P56373 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
P2RY11 Q96G91 1/20 0.42

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
SCHEMBL22646947 1.00 POLB (0.52) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL20924430 1.00 POLB (0.52) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL21609616 1.00 POLB (0.52) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL16004521 1.00 POLB (0.52) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL16004579 1.00 POLB (0.52) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL17448154 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL13664952 0.89 GSK3A (0.55) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL14614379 0.89 GSK3A (0.55) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL21314724 0.89 GSK3A (0.55) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL17446514 0.88 P2RY1 (0.45) POLBP2RY2P2RY4P2RY6TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352976-A1 HYPOMETHYLATING AGENTS FOR USE IN TREATMENT OF CANCER ASTEX PHARMACEUTICALS, INC. 2020-11-12 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 (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-20200352976-A1 HYPOMETHYLATING AGENTS FOR USE IN TREATMENT OF CANCER DNMT1, MGMT, UNG POLB 82/4885P2RY2 3883/4885P2RY4 3761/4885
US-10517886-B2 Drug formulations MCL1, DNMT3A, TET2 POLB 677/4885P2RY2 4299/4885P2RY4 3659/4885

“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.