SCHEMBL30009201

SCHEMBL30009201

O=C(NCC(F)(F)F)Nc1ccc(-c2ccnc3[nH]ccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.62
CIT O14578 17/20 0.59
AURKA O14965 1/20 0.56
AURKB Q96GD4 1/20 0.56
NEK1 Q96PY6 1/20 0.54

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
SCHEMBL30009459 0.85 CIT (0.64) JAK1CITAURKAAURKB
SCHEMBL10124944 0.84 NEK1 (0.72) JAK1CITAURKBNEK1
SCHEMBL4791969 0.82 CIT (0.63) CITAURKAAURKB
SCHEMBL30009371 0.82 CIT (0.63) CITAURKAAURKB
SCHEMBL22736461 0.82 CYP3A4 (0.48) JAK1AURKAAURKB
SCHEMBL4791702 0.81 CYP3A4 (0.67) CIT
SCHEMBL30008944 0.81 JAK1 (0.62) JAK1CITAURKAAURKBNEK1
SCHEMBL4794287 0.81 CIT (0.66) CITAURKAAURKB
SCHEMBL4794268 0.81 AURKB (0.73) CITAURKAAURKB
SCHEMBL5521274 0.80 CIT (0.54) CITAURKAAURKB

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 JAK1 83/4885CIT 417/4885AURKA 422/4885

“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.