SCHEMBL27199522

SCHEMBL27199522

CCn1nc(NC(=O)O)c2c(=O)n(CC(F)(F)F)ccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.33
AURKA O14965 2/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
KDM4C Q9H3R0 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
RPS6KB1 P23443 1/20 0.32
SPR P35270 1/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 1/20 0.31
LIPG Q9Y5X9 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL25757055 0.86 OPRM1 (0.34) AURKASYKAURKBPTGDR2
SCHEMBL25757056 0.85 AURKA (0.32) AURKASYKAURKBMEN1KMT2A
SCHEMBL25752395 0.79 CNR1 (0.33) MAPTMEN1KMT2ALMNA
SCHEMBL25757053 0.78 CNR1 (0.34) MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL27199341 0.78 CNR1 (0.32) MAPTMEN1KMT2ALMNA
SCHEMBL27199473 0.78 ALDH1A1 (0.39) TRPA1MAPTMEN1KMT2ALMNA
SCHEMBL25756718 0.76 LMNA (0.32) AURKASYKAURKBMAPTMEN1
SCHEMBL27199568 0.75 PTGDR2 (0.35) TRPA1PTGDR2LIPGMEN1KMT2A
SCHEMBL27199374 0.73 PTGDR2 (0.35) TRPA1PTGDR2LIPGMEN1KMT2A
SCHEMBL30498126 0.73 TYK2 (0.33)

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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 TRPA1 4800/4885AURKA 208/4885SYK 94/4885

“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.