SCHEMBL30008938

SCHEMBL30008938

CCS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CIT O14578 11/20 0.60
NUDT1 P36639 1/20 0.52
IKBKB O14920 3/20 0.52
CHUK O15111 3/20 0.52
KIT P10721 3/20 0.48
PGR P06401 1/20 0.44
JAK1 P23458 1/20 0.43

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
SCHEMBL30008811 0.87 CIT (0.60) CITIKBKBCHUKJAK1
SCHEMBL30008778 0.87 CIT (0.61) CITIKBKBCHUKJAK1
SCHEMBL30009181 0.84 CIT (0.50) CITNUDT1IKBKBCHUKPGR
SCHEMBL30009247 0.83 CIT (0.62) CITIKBKBCHUKPGRJAK1
SCHEMBL29548773 0.82 BRD4 (0.64)
SCHEMBL28723192 0.82 BRD4 (0.64)
SCHEMBL30009525 0.82 IKBKB (0.76) CITIKBKBCHUK
SCHEMBL30008979 0.81 CIT (0.59) CITIKBKBCHUKKITJAK1
SCHEMBL30009873 0.81 JAK1 (0.60) CITIKBKBCHUKKITJAK1
SCHEMBL30010036 0.80 JAK1 (0.58) NUDT1IKBKBCHUKJAK1

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 417/4885NUDT1 3177/4885IKBKB 294/4885

“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.