SCHEMBL4963575

SCHEMBL4963575

O=C(O)N1CCC(c2ncnc3cc(OCCN4CCOCC4)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
AURKA O14965 2/20 0.48
AURKB Q96GD4 2/20 0.48
MAPK7 Q13164 6/20 0.47
KDM4E B2RXH2 4/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ILK Q13418 1/20 0.44
GRM4 Q14833 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MET P08581 1/20 0.43

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
SCHEMBL4964964 0.95 CHEK1 (0.54) CHEK1AURKAAURKBMAPK7FGFR1
SCHEMBL5138448 0.90 MAPK7 (0.49) AURKAAURKBMAPK7KDM4ETSHR
SCHEMBL4966483 0.90 MAPK7 (0.50) AURKAAURKBMAPK7KDM4EALDH1A1
SCHEMBL4963809 0.88 GRM4 (0.50) AURKAAURKBMAPK7GRM4
SCHEMBL5075226 0.87 AURKA (0.52) AURKAAURKBMAPK7KDM4EALDH1A1
SCHEMBL5604236 0.86 AURKA (0.53) AURKAAURKBMAPK7KDM4EALDH1A1
SCHEMBL4965297 0.86 FKBP1A (0.49) MAPK7KDM4ETP53ALDH1A1SMN1; SMN2
SCHEMBL4966596 0.85 MAPK7 (0.46) CHEK1MAPK7
SCHEMBL4963499 0.85 MAPK7 (0.52) MAPK7
SCHEMBL4965030 0.85 AURKA (0.53) AURKAAURKBMAPK7HRH3

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 CHEK1 323/4885AURKA 94/4885AURKB 44/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG CHEK1 52/4885AURKA 174/4885AURKB 41/4885

“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.