SCHEMBL12119836

SCHEMBL12119836

CNc1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.51
▸ PDPK1 O15530 7/20 0.51
▸ AURKB Q96GD4 7/20 0.51
▸ EIF2AK4 Q9P2K8 1/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ SYK P43405 2/20 0.37
▸ SUV39H2 Q9H5I1 3/20 0.36
▸ RET P07949 4/20 0.35
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ CTSK P43235 1/20 0.33

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
SCHEMBL12119841 0.94 AURKA (0.47) AURKAPDPK1AURKBEIF2AK4JAK3
SCHEMBL12119839 0.90 AURKA (0.54) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL12119823 0.89 AURKA (0.63) AURKAPDPK1AURKBEIF2AK4JAK3
SCHEMBL13354730 0.89 PDPK1 (0.56) AURKAPDPK1AURKBEIF2AK4BTK
SCHEMBL16966439 0.88 AURKA (0.38) AURKAPDPK1AURKB
SCHEMBL12119790 0.87 JAK3 (0.53) AURKAPDPK1AURKBJAK3BTK
SCHEMBL13354797 0.85 PDPK1 (0.60) AURKAPDPK1AURKBEIF2AK4BTK
SCHEMBL13354875 0.85 AURKA (0.52) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL12119825 0.84 AURKA (0.58) AURKAPDPK1AURKBEIF2AK4JAK3
SCHEMBL16966467 0.83 AURKA (0.36) AURKAPDPK1AURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 AURKA 298/4885PDPK1 12/4885AURKB 262/4885

“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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