SCHEMBL30009346

SCHEMBL30009346

CCCS(=O)(=O)NC1CC=C(c2ccnc3[nH]ccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.65
JAK2 O60674 5/20 0.48
TYK2 P29597 5/20 0.48
JAK3 P52333 3/20 0.48
MAOA P21397 1/20 0.48
KDR P35968 1/20 0.48
CDK9 P50750 3/20 0.44
CCNT1 O60563 2/20 0.44
PIK3C3 Q8NEB9 1/20 0.43
IKBKB O14920 3/20 0.42
CHUK O15111 3/20 0.42
NEK1 Q96PY6 1/20 0.39

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
SCHEMBL30009362 0.93 JAK1 (0.63) JAK1TYK2CDK9CCNT1PIK3C3
SCHEMBL30009522 0.85 JAK1 (0.50) JAK1CDK9CCNT1PIK3C3IKBKB
SCHEMBL30009242 0.81 JAK1 (0.58) JAK1JAK2TYK2JAK3CDK9
SCHEMBL30009178 0.79 JAK1 (0.53) JAK1CDK9CCNT1PIK3C3
SCHEMBL20918691 0.79 JAK1 (1.00) JAK1
SCHEMBL30356202 0.79 JAK1 (1.00) JAK1
SCHEMBL30009838 0.73 JAK1 (0.67) JAK1JAK2JAK3CDK9CCNT1
SCHEMBL20930187 0.71 JAK1 (1.00) JAK1
SCHEMBL30009810 0.70 JAK1 (0.52) JAK1JAK2TYK2JAK3CDK9
SCHEMBL30010048 0.70 IKBKB (0.73) IKBKBCHUKNEK1

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 83/4885JAK2 61/4885TYK2 174/4885

“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.