SCHEMBL22399677

SCHEMBL22399677

CC(N)n1cnc2c(=O)[nH]ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.33
JAK1 P23458 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CTSS P25774 2/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL15723760 0.87 MEN1 (0.41) JAK2JAK1MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28337380 0.86 MEN1 (0.40) JAK2JAK1MEN1ALDH1A1KMT2A
SCHEMBL18521891 0.75 SMN1; SMN2 (0.32) SMN1; SMN2ADORA2AADORA2BADORA1PI4KA
SCHEMBL8259942 0.75 RAB9A (0.42) JAK2JAK1ALDH1A1CTSS
SCHEMBL23619480 0.74 PNP (0.41) MEN1KMT2ASMN1; SMN2ADORA2AADORA2B
SCHEMBL21127932 0.73 HPRT1 (0.47) MEN1ALDH1A1KMT2AADORA2AADORA2B
SCHEMBL13181197 0.71 SMN1; SMN2 (0.38) JAK2JAK1MEN1KMT2ASMN1; SMN2
SCHEMBL23228228 0.71 JAK2 (0.37) JAK2JAK1CTSS
SCHEMBL22326694 0.71 JAK2 (0.34) JAK2JAK1CTSS
SCHEMBL23619305 0.70 MEN1 (0.32) MEN1ALDH1A1KMT2ASMN1; SMN2

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 JAK2 1775/4885JAK1 583/4885MEN1 1419/4885

“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.