SCHEMBL1318529

SCHEMBL1318529

C[C@@H]1C[C@@H](CN(C(=O)O)C(C)(C)C)CN(c2cc(-c3ccc(C#N)c(F)c3)nc(N)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.43
▸ PDPK1 O15530 3/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ KDM1A O60341 10/20 0.38
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL1320700 0.90 AURKA (0.40) AURKAPDPK1AURKBHRH4HRH3
SCHEMBL1318843 0.85 AURKA (0.48) AURKAPDPK1AURKBKDM1AHRH4
SCHEMBL16966472 0.84 KDM1A (0.41) AURKAPDPK1AURKBKDM1AHRH4
SCHEMBL16966473 0.82 AURKA (0.52) AURKAPDPK1AURKBKDM1AHRH4
SCHEMBL1317631 0.81 PDPK1 (0.51) AURKAPDPK1AURKB
SCHEMBL1320327 0.81 PDPK1 (0.66) AURKAPDPK1AURKB
SCHEMBL1318114 0.80 AURKA (0.68) AURKAPDPK1AURKBKDM1AHRH4
SCHEMBL16966477 0.80 AURKA (0.51) AURKAPDPK1AURKBKDM1AHRH4
SCHEMBL1318883 0.79 PDPK1 (0.58) AURKAPDPK1AURKB
SCHEMBL1318386 0.79 KDM1A (0.48) AURKAPDPK1AURKBKDM1AHRH4

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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