SCHEMBL1317352

SCHEMBL1317352

Nc1nc(Cl)cc(N2CCOC(C(=O)Nc3ccccc3)C2)n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.63
AURKA O14965 4/20 0.63
ROCK1 Q13464 4/20 0.63
AURKB Q96GD4 4/20 0.63
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
USP30 Q70CQ3 5/20 0.44
LMNA P02545 1/20 0.44
MAP4K4 O95819 2/20 0.42
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.40
MAP3K5 Q99683 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
NPY2R P49146 1/20 0.38

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
SCHEMBL1317810 0.80 AURKA (0.63) PDPK1AURKAROCK1AURKBLMNA
SCHEMBL3720386 0.80 AURKA (0.63) PDPK1AURKAROCK1AURKBLMNA
SCHEMBL1318722 0.80 AURKA (0.63) PDPK1AURKAROCK1AURKBLMNA
SCHEMBL1317293 0.80 PDPK1 (0.57) PDPK1AURKAROCK1AURKBCYP1A2
SCHEMBL1317643 0.78 PDPK1 (1.00) PDPK1AURKAROCK1AURKB
SCHEMBL1317255 0.77 PDPK1 (0.67) PDPK1AURKAROCK1AURKBUSP30
SCHEMBL1318216 0.73 PDPK1 (0.63) PDPK1AURKAROCK1AURKBMAPT
SCHEMBL3726160 0.71 MAPT (0.62) CYP1A2CYP2D6MAPTLMNAKMT2A
SCHEMBL11272707 0.70 USP30 (0.57) MAPTUSP30LMNAMAP4K4KMT2A
SCHEMBL21796691 0.69 LRRK2 (0.52) LMNA

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 12/4885AURKA 298/4885ROCK1 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.