SCHEMBL1318556

SCHEMBL1318556

N#Cc1ccc(-c2cc(N3CCC[C@@H](N(Cc4ccccc4)C(=O)O)C3)nc(N)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 5/20 0.42
▸ AURKB Q96GD4 4/20 0.42
▸ AURKA O14965 3/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ KDM1A O60341 8/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ HRH4 Q9H3N8 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ DPP4 P27487 1/20 0.37

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
SCHEMBL1319497 0.87 CYP11B1 (0.44) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317162 0.86 CYP11B1 (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317948 0.85 PDPK1 (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317186 0.85 PDPK1 (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317824 0.84 KDM1A (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317305 0.84 KDM1A (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317616 0.84 KDM1A (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1320358 0.84 KDM1A (0.43) PDPK1AURKBAURKAROCK1KDM1A
SCHEMBL1317811 0.82 PDPK1 (0.52) PDPK1AURKBAURKAROCK1LMNA
SCHEMBL1318149 0.82 PDPK1 (0.49) PDPK1AURKBAURKAROCK1KDM1A

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 4 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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 — — EP 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 262/4885AURKA 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.

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