SCHEMBL30009358

SCHEMBL30009358

N#CCCN1CC=C(c2ccnc3[nH]ccc23)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.58
AURKB Q96GD4 2/20 0.43
AURKA O14965 1/20 0.43
INCENP Q9NQS7 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
JAK2 O60674 9/20 0.42
JAK3 P52333 3/20 0.42
CCNK O75909 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
NUDT1 P36639 1/20 0.40
TYK2 P29597 2/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL30009060 0.89 JAK1 (0.59) JAK1AURKBAURKAINCENPTPX2
SCHEMBL30009237 0.76 JAK1 (0.52) JAK1JAK2JAK3TYK2CDK9
SCHEMBL30356199 0.74 JAK1 (1.00) JAK1
SCHEMBL20917922 0.74 JAK1 (1.00) JAK1
SCHEMBL23543142 0.72 AURKB (0.41) JAK1AURKBAURKAINCENPTPX2
SCHEMBL30009512 0.71 AURKB (0.50) JAK1AURKBAURKAINCENPTPX2
SCHEMBL30009412 0.71 AURKB (0.62) JAK1AURKBAURKAINCENPTPX2
SCHEMBL99373 0.71 AURKB (0.62) JAK1AURKBAURKAINCENPTPX2
SCHEMBL14493885 0.70 JAK1 (0.57) JAK1JAK2JAK3TYK2CDK9
SCHEMBL27819451 0.70 HTR1A (0.46) JAK1AURKBAURKAINCENPTPX2

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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 US claimed

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 83/4885AURKB 643/4885AURKA 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.