SCHEMBL13756828

SCHEMBL13756828

CN1CCC(c2ccc(Nc3ncc4c(n3)N(c3ccc(S(C)(=O)=O)cc3)CC4)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.53
▸ JAK2 O60674 7/20 0.51
▸ PTK2 Q05397 5/20 0.51
▸ JAK3 P52333 4/20 0.51
▸ EGFR P00533 1/20 0.46
▸ BRD4 O60885 5/20 0.46
▸ MAP4K1 Q92918 5/20 0.44
▸ MAP4K3 Q8IVH8 1/20 0.44
▸ WEE1 P30291 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ STAT6 P42226 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
SCHEMBL13756691 0.87 AURKA (0.54) JAK2PTK2JAK3BRD4
SCHEMBL13756756 0.84 PTGS2 (0.48) JAK2PTK2JAK3EGFRBRD4
SCHEMBL13756693 0.84 PTGS2 (0.47) JAK2PTK2EGFRBRD4STAT6
SCHEMBL13756753 0.83 FGFR4 (0.50) JAK2PTK2JAK3EGFR
SCHEMBL13756834 0.83 CDK2 (0.43) JAK2PTK2JAK3KCNH2STAT6
SCHEMBL13756846 0.82 CDK2 (0.44) JAK2PTK2JAK3STAT6
SCHEMBL22932113 0.81 BRD4 (0.51) TTKJAK2PTK2JAK3BRD4
SCHEMBL1657629 0.80 JAK2 (0.67) JAK2PTK2JAK3BRD4
SCHEMBL13756832 0.79 JAK2 (0.56) JAK2PTK2JAK3BRD4
SCHEMBL13756755 0.78 PTK2 (0.48) PTK2EGFRBRD4

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-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 TTK 501/4885JAK2 2/4885PTK2 175/4885

“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.

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