SCHEMBL13756768

SCHEMBL13756768

CN1CCN(C(=O)c2ccc(Nc3ncc4c(n3)N(c3ccc(S(C)(=O)=O)cc3)CC4)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUAK1 O60285 1/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ BRD4 O60885 10/20 0.42
▸ JAK2 O60674 10/20 0.42
▸ JAK1 P23458 4/20 0.42
▸ BRD2 P25440 3/20 0.42
▸ BRD3 Q15059 3/20 0.42
▸ BRDT Q58F21 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41

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 0.91 NUAK1 (0.54) NUAK1CDK2BRD4JAK2JAK1
SCHEMBL13756799 0.86 CDK2 (0.53) NUAK1CDK2CCNT1CCNE1CDK9
SCHEMBL13756697 0.86 CSF1R (0.41) CDK2BRD4JAK2EPHX2CCNA2
SCHEMBL13756843 0.85 NUAK1 (0.47) NUAK1CDK2CCNE1BRD4JAK2
SCHEMBL13756842 0.83 NUAK1 (0.45) NUAK1CDK2JAK2JAK1JAK3
SCHEMBL1654957 0.82 JAK2 (0.59) BRD4JAK2JAK1BRD2BRD3
SCHEMBL13756691 0.81 AURKA (0.54) BRD4JAK2JAK1JAK3CDK4
SCHEMBL13756756 0.81 PTGS2 (0.48) CDK2CCNT1CCNE1CDK9BRD4
SCHEMBL13756800 0.80 CDK2 (0.46) CDK2CCNE1BRD4JAK2CCNB2
SCHEMBL13756832 0.79 JAK2 (0.56) CDK2BRD4JAK2JAK1JAK3

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 488/4885CDK2 77/4885CCNT1 799/4885

“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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