SCHEMBL25819506

SCHEMBL25819506

CCC(C)n1cnc2cnc(NC)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 4/20 0.40
CASP1 P29466 4/20 0.40
CASP7 P55210 4/20 0.40
HSD17B10 Q99714 4/20 0.40
GLA P06280 3/20 0.40
USP2 O75604 2/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
TMIGD3 P0DMS9 1/20 0.37
CLK4 Q9HAZ1 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL16683658 0.84 CDK2 (0.45) TMIGD3MAPK1CDK2CDK1CCNB1
SCHEMBL18521209 0.82 TMIGD3 (0.40) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL27538550 0.80 ADORA2A (0.44) ADORA2AADORA2BADORA1ALDH1A1CYP1A2
SCHEMBL23992749 0.75 CDK2 (0.42) ALDH1A1CYP1A2CDK4CCND1CLK4
SCHEMBL14327305 0.75 CDK2 (0.44) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL8826403 0.75 CYP1A2 (0.41) ADORA2AADORA2BADORA1ALDH1A1CYP1A2
SCHEMBL18697927 0.73 CDK2 (0.48) CDK4CCND1MAPK1CDK2CDK1
SCHEMBL18521150 0.73 YTHDC1 (0.43) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL23993147 0.72 CDK2 (0.58) ALDH1A1CYP1A2CDK4CCND1CLK4
SCHEMBL9583556 0.72 CDK1 (0.37) ALDH1A1CYP1A2CASP1CASP7HSD17B10

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA2A 69/4885ADORA2B 147/4885ADORA1 33/4885

“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.