SCHEMBL1320303

SCHEMBL1320303

C[C@@H]1C[C@@H](C(NC(=O)O)C(C)(C)C)CN(c2cc(Cl)nc(N)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ AURKA O14965 2/20 0.38
▸ PDPK1 O15530 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HRH3 Q9Y5N1 6/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TPH1 P17752 3/20 0.34
▸ HRH4 Q9H3N8 3/20 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
SCHEMBL1318649 0.87 AURKA (0.35) LMNAAURKAPDPK1AURKBMAPT
SCHEMBL4400164 0.86 LMNA (0.53) LMNAKMT2AMAPTCYP1A2CYP2D6
SCHEMBL4392400 0.86 LMNA (0.53) LMNAKMT2AMAPTCYP1A2CYP2D6
SCHEMBL1320697 0.79 AURKA (0.39) AURKAPDPK1AURKBHRH3HRH4
SCHEMBL1320323 0.78 PDPK1 (0.65) AURKAPDPK1AURKB
SCHEMBL1318528 0.77 AURKA (0.42) AURKAPDPK1AURKBHRH3HRH4
SCHEMBL1318882 0.77 PDPK1 (0.58) AURKAPDPK1AURKB
SCHEMBL1317629 0.77 PDPK1 (0.50) AURKAPDPK1AURKB
SCHEMBL1318247 0.74 LMNA (0.43) LMNAAURKAPDPK1AURKBKMT2A
SCHEMBL12119818 0.73 AURKA (0.63) LMNAAURKAPDPK1AURKBHRH4

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-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 LMNA 4686/4885AURKA 298/4885PDPK1 12/4885

“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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