SCHEMBL1318157

SCHEMBL1318157

Nc1nc(NCc2ccccc2Cl)cc(-c2ccc3c(N)n[nH]c3c2)n1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 16/20 0.66
TGFBR1 P36897 11/20 0.66
AURKA O14965 10/20 0.66
AURKB Q96GD4 10/20 0.66
ROCK1 Q13464 6/20 0.62
CHUK O15111 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
KDR P35968 1/20 0.47
SYK P43405 1/20 0.47
JAK3 P52333 1/20 0.47
MAP3K5 Q99683 1/20 0.47
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
JAK2 O60674 1/20 0.44
SGK1 O00141 1/20 0.44

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
SCHEMBL1317951 0.91 PDPK1 (0.65) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL1317038 0.86 PDPK1 (0.73) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL1318299 0.80 PDPK1 (1.00) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL1319045 0.80 PDPK1 (0.67) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL1319607 0.80 PDPK1 (0.64) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL1318024 0.79 PDPK1 (0.69) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL24137797 0.78 JAK2 (0.51) PDPK1TGFBR1AURKAAURKBJAK3
SCHEMBL13354782 0.78 HRH4 (0.49) HRH4HRH3
SCHEMBL1321037 0.78 PDPK1 (0.82) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL1318884 0.77 PDPK1 (0.63) PDPK1TGFBR1AURKAAURKBROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP claimed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US claimed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US claimed
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
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO 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 12/4885TGFBR1 1687/4885AURKA 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.