SCHEMBL1318659

SCHEMBL1318659

CNc1nc(-c2ccc(C#N)c(F)c2)cc(N2C[C@H](C)C[C@@H](N(C(=O)O)C(C)(C)C)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.48
▸ PDPK1 O15530 3/20 0.48
▸ AURKB Q96GD4 3/20 0.48
▸ KDM1A O60341 8/20 0.37
▸ EGLN2 Q96KS0 2/20 0.35
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ BCL6 P41182 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
SCHEMBL1317808 0.90 AURKA (0.45) AURKAPDPK1AURKB
SCHEMBL1318843 0.89 AURKA (0.48) AURKAPDPK1AURKBKDM1AEGLN2
SCHEMBL1317620 0.88 CYP11B1 (0.41) AURKAPDPK1AURKBKDM1ACYP11B1
SCHEMBL1318715 0.85 AURKA (0.43) AURKAPDPK1AURKB
SCHEMBL1317785 0.84 PDPK1 (0.42) AURKAPDPK1AURKBKDM1AEGLN2
SCHEMBL16966468 0.83 AURKA (0.41) AURKAPDPK1AURKBKDM1AEGLN2
SCHEMBL12119839 0.81 AURKA (0.54) AURKAPDPK1AURKBEGLN2GPR119
SCHEMBL16966481 0.79 PDPK1 (0.64) AURKAPDPK1AURKB
SCHEMBL1317210 0.79 PDPK1 (0.75) AURKAPDPK1AURKB
SCHEMBL16966473 0.78 AURKA (0.52) AURKAPDPK1AURKBKDM1ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 — — 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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