SCHEMBL4964964

SCHEMBL4964964

O=C(O)N1CCC(c2ncnc3cc(OCCCN4CCOCC4)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
AURKA O14965 3/20 0.53
AURKB Q96GD4 2/20 0.53
HRH3 Q9Y5N1 7/20 0.49
KDR P35968 2/20 0.47
BRAF P15056 2/20 0.47
EGFR P00533 1/20 0.47
MAPK7 Q13164 1/20 0.47
HTR1A P08908 5/20 0.46
DRD2 P14416 5/20 0.46
HTR2A P28223 5/20 0.46
SRC P12931 2/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR6 P50406 1/20 0.46
KCNH2 Q12809 1/20 0.46
CSF1R P07333 1/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL4963575 0.95 CHEK1 (0.49) CHEK1AURKAAURKBHRH3MAPK7
SCHEMBL5075226 0.92 AURKA (0.52) AURKAAURKBHRH3MAPK7
SCHEMBL5604236 0.91 AURKA (0.53) AURKAAURKBHRH3MAPK7KCNH2
SCHEMBL4966697 0.90 AURKA (0.53) CHEK1AURKAAURKBKDRBRAF
SCHEMBL4965030 0.90 AURKA (0.53) AURKAAURKBHRH3MAPK7HTR1A
SCHEMBL4964489 0.89 MAPK7 (0.49) CHEK1AURKAAURKBMAPK7
SCHEMBL4964717 0.89 CHEK1 (0.48) CHEK1AURKAAURKBMAPK7AVPR1B
SCHEMBL4962333 0.88 MAPK7 (0.48) AURKAAURKBHRH3MAPK7DRD3
SCHEMBL4966990 0.87 MAPK7 (0.48) CHEK1AURKAAURKBMAPK7
SCHEMBL4963778 0.86 AURKA (0.52) AURKAAURKBHRH3MAPK7HTR1A

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.