SCHEMBL1320552

SCHEMBL1320552

C[C@H]1CC[C@@H](N(C(=O)O)C2CCCC2)CN1c1cc(-c2ccc(C#N)c(F)c2)nc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.42
AURKB Q96GD4 9/20 0.42
AURKA O14965 6/20 0.42
ROCK1 Q13464 5/20 0.42
TGFBR1 P36897 2/20 0.41
KDM1A O60341 6/20 0.39
GPR119 Q8TDV5 1/20 0.38
MTOR P42345 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
PIK3CG P48736 1/20 0.35
PDK1 Q15118 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL1320548 1.00 PDPK1 (0.42) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1320555 1.00 PDPK1 (0.42) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317457 0.87 PDPK1 (0.42) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318453 0.87 PDPK1 (0.42) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317162 0.86 CYP11B1 (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317948 0.85 PDPK1 (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317186 0.85 PDPK1 (0.43) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1319497 0.85 CYP11B1 (0.44) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317339 0.84 PDPK1 (0.50) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318419 0.82 PDPK1 (0.51) PDPK1AURKBAURKAROCK1TGFBR1

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 PDPK1 12/4885AURKB 262/4885AURKA 298/4885

“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.