SCHEMBL23619484

SCHEMBL23619484

Nc1ncnc2c1nnn2[C@@H]1O[C@H](COP(=O)(S)O[C@H]2[C@H](n3cnc4c(=O)n5cc[nH]c5nc43)O[C@@H]3C(O)[C@@]32F)[C@@H](O)[C@@H]1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.44
▸ FHIT P49789 5/20 0.40
▸ P2RY1 P47900 4/20 0.40
▸ P2RY2 P41231 3/20 0.40
▸ SRC P12931 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DNPH1 O43598 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ TRPM2 O94759 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL23619323 0.88 NT5E (0.45) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL25812470 0.88 NT5E (0.44) NT5EFHITP2RY1P2RY2SRC
SCHEMBL23619370 0.88 NT5E (0.44) NT5EFHITP2RY1P2RY2SRC
SCHEMBL23619339 0.87 NT5E (0.43) NT5EFHITP2RY1P2RY2SRC
SCHEMBL23619226 0.81 ADORA1 (0.54) NT5EADORA1
SCHEMBL18521236 0.80 NT5E (0.48) NT5ETAS1R3TAS1R1P2RX3
SCHEMBL18520893 0.80 NT5E (0.48) NT5ETAS1R3TAS1R1P2RX3
SCHEMBL18522064 0.80 NT5E (0.48) NT5ETAS1R3TAS1R1P2RX3
SCHEMBL25812398 0.80 ADORA1 (0.36) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24236877 0.79 NT5E (0.55) NT5EFHITP2RY1P2RY2SRC

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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 NT5E 1544/4885FHIT 4585/4885P2RY1 30/4885

“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.

Send feedback