SCHEMBL26348576

SCHEMBL26348576

Cn1cnc2c(SI)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.55
ADORA2A P29274 2/20 0.55
YTHDC1 Q96MU7 2/20 0.51
CYP1A2 P05177 4/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
TSHR P16473 1/20 0.43
CDK1 P06493 2/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.34
ADORA2B P29275 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
SCHEMBL6426384 0.83 CYP1A2 (0.59) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL754946 0.79 ADORA1 (0.51) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL6661513 0.75 SLC29A1 (0.49) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL18721931 0.75 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL6663342 0.73 ADORA1 (0.45) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL6666246 0.72 CYP1A2 (0.68) CYP1A2CYP3A4PKMCDK1NPC1
SCHEMBL130453 0.71 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL106573 0.71 ADORA2A (1.00) ADORA1ADORA2AYTHDC1CDK1ADORA2B
SCHEMBL5801450 0.71 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL3857168 0.71 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6

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-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 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-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 ADORA1 217/4885ADORA2A 237/4885YTHDC1 3243/4885

“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.