SCHEMBL1318232

SCHEMBL1318232

CNc1nc(Cl)cc(N2C[C@@H](C(=O)Nc3ccccc3)CC[C@H]2C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.62
AURKB Q96GD4 5/20 0.62
ROCK1 Q13464 4/20 0.62
AURKA O14965 2/20 0.51
TGFBR1 P36897 1/20 0.51
PIK3CG P48736 1/20 0.44
PDK1 Q15118 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOTUM Q6P988 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
IGF1R P08069 1/20 0.40
ALK Q9UM73 1/20 0.40
FAAH O00519 1/20 0.40
GLA P06280 1/20 0.40
CTNNB1 P35222 2/20 0.39

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
SCHEMBL1318216 0.87 PDPK1 (0.63) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1317877 0.85 EPHX2 (0.49) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1317034 0.85 PDPK1 (0.45) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1319357 0.81 PDPK1 (0.61) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL14804589 0.81 PDPK1 (0.61) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1316853 0.77 PDPK1 (1.00) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1319103 0.77 PDPK1 (0.86) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL16966480 0.77 PDPK1 (0.42) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1319582 0.77 EPHX2 (0.48) PDPK1AURKBROCK1ALDH1A1SMN1; SMN2
SCHEMBL1319051 0.77 EPHX2 (0.48) PDPK1AURKBROCK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
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
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 PDPK1 12/4885AURKB 262/4885ROCK1 266/4885

“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.