SCHEMBL1318322

SCHEMBL1318322

N#Cc1ccc(-c2cc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)nc(N)n2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.58
ROCK1 Q13464 3/20 0.58
AURKB Q96GD4 3/20 0.58
AURKA O14965 2/20 0.58
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.49
EGLN2 Q96KS0 5/20 0.47
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL1319542 0.94 PDPK1 (0.56) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL1317539 0.94 PDPK1 (0.56) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL1317282 0.94 PDPK1 (0.66) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL1317711 0.94 PDPK1 (0.66) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL1317849 0.93 PDPK1 (0.55) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL1317911 0.92 PDPK1 (0.54) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL1317895 0.91 PDPK1 (0.57) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL13354773 0.89 PDPK1 (0.62) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL1318592 0.88 PDPK1 (0.56) PDPK1ROCK1AURKBAURKAKMT2A
SCHEMBL1316877 0.88 PDPK1 (0.56) PDPK1ROCK1AURKBAURKAKMT2A

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 12/4885ROCK1 266/4885AURKB 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.