SCHEMBL30009181

SCHEMBL30009181

CCS(=O)(=O)Nc1cc(F)c(-c2ccnc3[nH]ccc23)cc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CIT O14578 4/20 0.50
JAK1 P23458 6/20 0.49
NUDT1 P36639 1/20 0.49
IKBKB O14920 6/20 0.46
CHUK O15111 5/20 0.46
PGR P06401 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
ROCK1 Q13464 1/20 0.42
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42

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
SCHEMBL30009303 0.93 CIT (0.48) CITJAK1NUDT1IKBKBCHUK
SCHEMBL30009844 0.85 JAK1 (0.64) CITJAK1IKBKBCHUKALOX5AP
SCHEMBL30008938 0.84 CIT (0.60) CITJAK1NUDT1IKBKBCHUK
SCHEMBL30009164 0.81 JAK1 (0.59) CITJAK1NUDT1IKBKBCHUK
SCHEMBL30010036 0.80 JAK1 (0.58) JAK1NUDT1IKBKBCHUKROCK1
SCHEMBL30009359 0.79 JAK1 (0.56) CITJAK1IKBKBCHUKALOX5AP
SCHEMBL30009857 0.79 JAK1 (0.57) CITJAK1NUDT1IKBKBCHUK
SCHEMBL12605437 0.78 TNNI3K (0.48) CITJAK1NUDT1IKBKBCHUK
SCHEMBL30009421 0.78 JAK1 (0.46) CITJAK1NUDT1IKBKBCHUK
SCHEMBL30009803 0.77 IKBKB (0.55) CITJAK1IKBKBCHUKROCK1

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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 US claimed
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 CIT 417/4885JAK1 83/4885NUDT1 3177/4885

“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.