SCHEMBL22326706

SCHEMBL22326706

NNn1cnc2c(Cl)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
P2RX7 Q99572 2/20 0.39
FGFR1 P11362 9/20 0.38
FGFR4 P22455 9/20 0.38
PI4KA P42356 2/20 0.35
PI4K2B Q8TCG2 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
YTHDC1 Q96MU7 1/20 0.33
DGAT1 O75907 1/20 0.32

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
SCHEMBL22399264 0.79 ADORA2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18521272 0.78 ADORA2A (0.34) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21127807 0.78 ADORA2A (0.34) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL8906057 0.77 FDPS (0.41) FDPSHDAC6P2RX7FGFR1FGFR4
SCHEMBL22399501 0.75 YTHDC1 (0.62) ADORA2AADORA1YTHDC1
SCHEMBL1868819 0.75 FDPS (0.44) FDPSHDAC6P2RX7FGFR1FGFR4
SCHEMBL24205301 0.74 FLT4 (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22399527 0.74 CYP1A2 (0.57)
SCHEMBL9412751 0.73 FGFR1 (0.55) FDPSHDAC6P2RX7FGFR1FGFR4
SCHEMBL29213745 0.73 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A

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 2 patents. 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
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 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 (2 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 FDPS 2814/4885HDAC6 4269/4885P2RX7 67/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 FDPS 2883/4885HDAC6 3545/4885P2RX7 59/4885

“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.