SCHEMBL26348604

SCHEMBL26348604

C=NN(C)c1ncnc(NC)c1N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.35
▸ YTHDC1 Q96MU7 2/20 0.34
▸ CHEK1 O14757 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ YTHDF2 Q9Y5A9 1/20 0.31

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
SCHEMBL13866824 0.82 CHEK1 (0.42) PDPK1YTHDC1CHEK1AURKAYTHDF2
SCHEMBL24409449 0.80 NUDT1 (0.32) CHEK1AURKA
SCHEMBL19969968 0.71 LIMK1 (0.33) —
SCHEMBL18526510 0.69 CYP1A2 (0.31) PDPK1
SCHEMBL5565234 0.69 PDPK1 (0.44) PDPK1YTHDC1YTHDF2
SCHEMBL18520486 0.67 PDPK1 (0.42) PDPK1YTHDC1YTHDF2
SCHEMBL26317506 0.67 — —
SCHEMBL766829 0.66 GALR3 (0.49) PDPK1YTHDC1YTHDF2
SCHEMBL27739308 0.66 PDPK1 (0.41) PDPK1YTHDC1YTHDF2
SCHEMBL2491613 0.66 PDPK1 (0.41) PDPK1YTHDC1YTHDF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 — — 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-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 PDPK1 497/4885YTHDC1 3243/4885CHEK1 522/4885

“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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