SCHEMBL20026278

SCHEMBL20026278

Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]ncc43)C[C@@H]2O)[C@@H](COP(=O)(O)S)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.57
▸ ENPP1 P22413 3/20 0.55
▸ P2RY1 P47900 2/20 0.55
▸ DTYMK P23919 4/20 0.50
▸ NT5E P21589 1/20 0.46
▸ DNPH1 O43598 1/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ TRPM2 O94759 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PDE3A Q14432 1/20 0.46

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
SCHEMBL24276630 0.90 POLB (0.49) POLBENPP1P2RY1DTYMKDNPH1
SCHEMBL22434625 0.87 POLB (0.62) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL24538794 0.85 POLB (0.77) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL10034046 0.84 POLB (0.66) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL22340261 0.84 POLB (0.54) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL20324886 0.82 RNASEL (0.48) POLBP2RY1DTYMKDNPH1PRKAB2
SCHEMBL20325246 0.82 RNASEL (0.63) P2RY1DTYMKDNPH1PRKAB2TRPM2
SCHEMBL20325279 0.82 RNASEL (0.48) POLBP2RY1DTYMKDNPH1PRKAB2
SCHEMBL14389942 0.82 POLB (0.60) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL13326140 0.82 POLB (0.60) POLBENPP1P2RY1DTYMKNT5E

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-20180092937-A1 CYCLIC DINUCLEOTIDE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-05 — — 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-20180092937-A1 CYCLIC DINUCLEOTIDE COMPOUNDS STING1, CGAS, IRF3 POLB 345/4885ENPP1 75/4885P2RY1 15/4885

“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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