SCHEMBL13756843

SCHEMBL13756843

Cc1cc(Nc2ncc3c(n2)N(c2ccc(S(C)(=O)=O)cc2)CC3)ccc1C(=O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NUAK1 O60285 1/20 0.47
▸ BTK Q06187 2/20 0.40
▸ JAK2 O60674 4/20 0.39
▸ SRC P12931 1/20 0.39
▸ SYK P43405 2/20 0.39
▸ CDK2 P24941 3/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ AXL P30530 1/20 0.37
▸ EGFR P00533 3/20 0.37
▸ CSF1R P07333 3/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ SMG1 Q96Q15 1/20 0.36

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
SCHEMBL13756769 0.94 NUAK1 (0.54) NUAK1JAK2SRCCDK2CCNA2
SCHEMBL13756842 0.93 NUAK1 (0.45) NUAK1JAK2SYKCDK2CCNA2
SCHEMBL13756768 0.85 NUAK1 (0.44) NUAK1JAK2CDK2CCNE1CCNA2
SCHEMBL13756697 0.82 CSF1R (0.41) JAK2CDK2CCNA2BRD4CSF1R
SCHEMBL13756846 0.81 CDK2 (0.44) JAK2SRCSYKCDK2CCNE1
SCHEMBL4290551 0.81 AURKA (0.52) JAK2SRCSYKCDK2BRD4
SCHEMBL13756766 0.79 NTRK1 (0.49) JAK2CDK2CCNE1CCNA2JAK1
SCHEMBL13756776 0.78 PDGFRB (0.52) NUAK1JAK2SRCCDK2CCNE1
SCHEMBL13756756 0.78 PTGS2 (0.48) JAK2CDK2CCNE1BRD4EGFR
SCHEMBL13756693 0.78 PTGS2 (0.47) JAK2CDK2CCNE1BRD4EGFR

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 NUAK1 488/4885BTK 4/4885JAK2 2/4885

“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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