SCHEMBL29399366

SCHEMBL29399366

CCC(n1cc(C(N)=O)cn1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.54
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL30686643 0.80 ACHE (0.54) ACHEMKNK1MKNK2LMNAAR
SCHEMBL29175561 0.80 ACHE (0.54) ACHEMKNK1MKNK2LMNAAR
SCHEMBL6238381 0.80 ACHE (0.67) ACHEJAK2JAK1TYK2JAK3
SCHEMBL22399206 0.78 ACHE (0.68) ACHEJAK2JAK1TYK2JAK3
SCHEMBL22326800 0.75 ACHE (0.46) ACHEMKNK1MKNK2LMNAL3MBTL1
SCHEMBL566139 0.74 ACHE (0.50) ACHEMKNK1MKNK2LMNA
SCHEMBL659349 0.74 ACHE (0.64) ACHEMKNK1MKNK2LMNA
SCHEMBL29544465 0.73 ACHE (0.57) ACHEMKNK1MKNK2LMNAL3MBTL1
SCHEMBL29563717 0.73 ACHE (0.44) ACHEAR
SCHEMBL25819849 0.73 ACHE (0.49) ACHEMKNK1MKNK2LMNAMAPKAPK2

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
CN-114573586-A Polycyclic compound for inhibiting Bruton's tyrosine kinase activity, pharmaceutical composition and application thereof 杭州和正医药有限公司 2022-06-03 CN disclosed
US-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2022-03-03 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-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK ACHE 4030/4885JAK2 7/4885JAK1 19/4885

“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.