SCHEMBL4964976

SCHEMBL4964976

O=C(O)N1CCC(c2ncnc3cc(OCCN4CCCC4=O)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPK7 Q13164 12/20 0.46
PDK2 Q15119 1/20 0.41
TNK2 Q07912 1/20 0.40
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
KIT P10721 2/20 0.38

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
SCHEMBL4962784 0.95 MAPK7 (0.45) POLBMAPK7PDK2AURKAAURKB
SCHEMBL4962836 0.88 MAPK7 (0.45) POLBMAPK7PDK2
SCHEMBL3570253 0.86 POLB (0.44) POLBMAPK7PDK2TNK2AURKA
SCHEMBL4966596 0.85 MAPK7 (0.46) MAPK7PDK2
SCHEMBL5138448 0.85 MAPK7 (0.49) POLBMAPK7AURKAAURKB
SCHEMBL12048996 0.85 PDGFRB (0.44) POLBMAPK7AURKAAURKBKIT
SCHEMBL12049062 0.84 KIT (0.42) POLBMAPK7AURKAAURKBKIT
SCHEMBL4966196 0.84 MAPK7 (0.45) POLBMAPK7KIT
SCHEMBL3561074 0.84 MAPK7 (0.46) MAPK7PDK2
SCHEMBL4963499 0.83 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 7 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
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS 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
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS 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 POLB 2073/4885MAPK7 489/4885PDK2 1147/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG POLB 1770/4885MAPK7 957/4885PDK2 1627/4885

“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.