SCHEMBL5137699

SCHEMBL5137699

O=C(O)N1CCC(c2ncnc3cc(OCCCN4CCC[C@H]4CO)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.49
HRH3 Q9Y5N1 2/20 0.45
MAPK7 Q13164 6/20 0.45
AURKB Q96GD4 8/20 0.43
RPS6KB1 P23443 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
SCHEMBL5006918 1.00 AURKA (0.49) AURKAHRH3MAPK7AURKBRPS6KB1
SCHEMBL5604728 0.96 MAPK7 (0.45) AURKAHRH3MAPK7AURKB
SCHEMBL4965317 0.96 MAPK7 (0.45) AURKAHRH3MAPK7AURKB
SCHEMBL3574118 0.87 AURKA (0.49) AURKAHRH3AURKBRPS6KB1
SCHEMBL3574113 0.87 AURKA (0.49) AURKAHRH3AURKBRPS6KB1
SCHEMBL5075226 0.85 AURKA (0.52) AURKAHRH3MAPK7AURKB
SCHEMBL4965011 0.85 MAPK7 (0.52) AURKAMAPK7AURKB
SCHEMBL12049327 0.84 AURKA (0.49) AURKAAURKB
SCHEMBL5604236 0.84 AURKA (0.53) AURKAHRH3MAPK7AURKB
SCHEMBL4963499 0.84 MAPK7 (0.52) MAPK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
EP-1893214-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135629-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (2 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-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 AURKA 94/4885HRH3 1117/4885MAPK7 489/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG AURKA 174/4885HRH3 2442/4885MAPK7 957/4885

“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.