SCHEMBL25554352

SCHEMBL25554352

CC(=O)Nc1c[nH]c2ccc(Oc3ccc(C)nc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
P2RX3 P56373 1/20 0.43
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
P2RY14 Q15391 5/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A1 P04798 1/20 0.40

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
SCHEMBL25554362 0.85 STING1 (0.46) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL25025857 0.84 CLK1 (0.44) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL25554263 0.84 MTNR1A (0.50) HTR2CCLK1CLK2CLK3CDK5
SCHEMBL25554355 0.83 HTR2C (0.45) HTR2CCLK1CLK2CLK3CDK5
SCHEMBL25565226 0.82 CLK1 (0.41) HTR2CCLK1CLK2CLK3CDK5
SCHEMBL6100002 0.79 NR4A2 (0.61) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL31757548 0.79 STING1 (0.48) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL25025855 0.79 STING1 (0.48) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL25554395 0.77 PIM1 (0.41) HTR2CCLK1CLK2CDK5DYRK1A
SCHEMBL25025858 0.77 LMNA (0.51) THRB

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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HTR2C 2900/4885CLK1 1338/4885CLK2 1343/4885

“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.