SCHEMBL24499231

SCHEMBL24499231

Cn1nnc2c(Cl)cncc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
KEAP1 Q14145 1/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL24375535 0.78 SLC9A1 (0.36) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL21888877 0.73 KDM4E (0.34) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL19911638 0.72 GRM2 (0.50) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL27249967 0.68 PDE4A (0.37) KDM4ETSHR
SCHEMBL17422282 0.63 SLC9A1 (0.34) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL19848287 0.63 KEAP1 (0.47) SLC9A1KEAP1KDM4E
SCHEMBL16830895 0.62 KDM4E (0.37) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL14921662 0.61 KEAP1 (0.41) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL1965207 0.60 SLC9A1 (0.48) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL23487160 0.59 HSD17B10 (0.37)

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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 SLC9A1 3052/4885KEAP1 1281/4885KDM4E 1783/4885

“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.