SCHEMBL1317255

SCHEMBL1317255

N#Cc1ccc(-c2cc(N3CCOC(C(=O)Nc4ccccc4)C3)nc(N)n2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.67
AURKB Q96GD4 8/20 0.67
ROCK1 Q13464 7/20 0.67
AURKA O14965 6/20 0.67
EGLN2 Q96KS0 9/20 0.49
USP30 Q70CQ3 2/20 0.46
TGFBR1 P36897 1/20 0.42

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
SCHEMBL1317408 0.86 PDPK1 (0.68) PDPK1AURKBROCK1AURKAEGLN2
SCHEMBL1317711 0.85 PDPK1 (0.66) PDPK1AURKBROCK1AURKAEGLN2
SCHEMBL1317282 0.85 PDPK1 (0.66) PDPK1AURKBROCK1AURKAEGLN2
SCHEMBL1317643 0.80 PDPK1 (1.00) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1317839 0.79 PDPK1 (0.67) PDPK1AURKBROCK1AURKAEGLN2
SCHEMBL1318322 0.78 PDPK1 (0.58) PDPK1AURKBROCK1AURKAEGLN2
SCHEMBL1317895 0.78 PDPK1 (0.57) PDPK1AURKBROCK1AURKAEGLN2
SCHEMBL1317352 0.77 PDPK1 (0.63) PDPK1AURKBROCK1AURKAUSP30
SCHEMBL1317539 0.77 PDPK1 (0.56) PDPK1AURKBROCK1AURKAEGLN2
SCHEMBL1319542 0.77 PDPK1 (0.56) PDPK1AURKBROCK1AURKAEGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.