SCHEMBL18877179

SCHEMBL18877179

C=NC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](F)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.49
▸ STING1 Q86WV6 12/20 0.46
▸ HINT1 P49773 1/20 0.46
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ NT5E P21589 1/20 0.44

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
SCHEMBL17359805 0.90 ADORA3 (0.52) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL16373915 0.90 ADORA3 (0.52) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL25581273 0.90 ADORA3 (0.47) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL25397152 0.89 ADORA3 (0.52) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL16373907 0.89 ADORA3 (0.47) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL19993713 0.89 ADORA3 (0.47) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL15070633 0.89 ADORA3 (0.51) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL25400949 0.89 ADORA3 (0.51) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL25401067 0.89 ADORA3 (0.51) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL15075451 0.89 ADORA3 (0.51) ADORA3STING1HINT1PDE3BPDE3A

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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — 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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ADORA3 83/4885STING1 280/4885HINT1 74/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA3 79/4885STING1 255/4885HINT1 137/4885

“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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