SCHEMBL22399282

SCHEMBL22399282

CNN(C)c1cnc2c(=O)[nH]cnn12

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL18520816 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL24499701 0.70 ALDH1A1 (0.37) ALDH1A1
SCHEMBL22547338 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL22326777 0.69 ALDH1A1 (0.39) ALDH1A1CYP1A2
SCHEMBL22349704 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL22399904 0.67 ALDH1A1 (0.37) ALDH1A1CYP1A2
SCHEMBL22349659 0.62 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29663136 0.62 ACVR1 (0.42) ALDH1A1
SCHEMBL22797271 0.60 PDE4A (0.33) ALDH1A1
SCHEMBL23228166 0.57 ALDH1A1 (0.33) ALDH1A1

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ALDH1A1 4183/4885CYP1A2 1485/4885CYP2D6 2541/4885

“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.