SCHEMBL30009416

SCHEMBL30009416

CCCCC(=O)N1C2CCC1CC(c1ccnc3[nH]ccc13)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.46
NUDT1 P36639 1/20 0.41
AR P10275 1/20 0.41
MGLL Q99685 1/20 0.40
PDE2A O00408 1/20 0.39
PDE3A Q14432 1/20 0.39
JAK2 O60674 8/20 0.38
TYK2 P29597 5/20 0.38
JAK3 P52333 5/20 0.38
PBK Q96KB5 2/20 0.36
PREP P48147 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
PLK4 O00444 1/20 0.35
PDPK1 O15530 1/20 0.35
RPS6KA5 O75582 1/20 0.35
PRKD3 O94806 1/20 0.35
PAK4 O96013 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL20930667 0.80 JAK1 (0.73) JAK1
SCHEMBL30009215 0.77 JAK1 (0.44) JAK1JAK2TYK2JAK3
SCHEMBL4054113 0.70 JAK2 (0.52) JAK1NUDT1PDE2APDE3AJAK2
SCHEMBL30009023 0.69 ALDH1A1 (0.43) JAK1PDE2APDE3AJAK2
SCHEMBL30009611 0.67 JAK1 (0.64) JAK1JAK2TYK2JAK3ROCK2
SCHEMBL30009345 0.65 JAK1 (0.60) JAK1JAK2TYK2JAK3
SCHEMBL21821940 0.65 PRKCI (0.44) JAK1NUDT1PDE2APDE3AJAK2
SCHEMBL30009854 0.65 GAA (0.45) JAK1PDE2APDE3AJAK2TYK2
SCHEMBL29431228 0.65 JAK1 (0.66) JAK1JAK2TYK2JAK3
SCHEMBL29431229 0.65 JAK1 (0.66) JAK1JAK2TYK2JAK3

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 83/4885NUDT1 3177/4885AR 2124/4885

“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.