SCHEMBL4966697

SCHEMBL4966697

O=C(O)N1CCC(c2ncnc3cc(OCCCN4CCN(CCO)CC4)ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.53
AURKB Q96GD4 11/20 0.53
MAPK7 Q13164 6/20 0.47
EGFR P00533 1/20 0.45
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
CHEK1 O14757 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL4965030 0.93 AURKA (0.53) AURKAAURKBMAPK7
SCHEMBL5075226 0.92 AURKA (0.52) AURKAAURKBMAPK7
SCHEMBL4964489 0.92 MAPK7 (0.49) AURKAAURKBMAPK7CHEK1
SCHEMBL5604236 0.91 AURKA (0.53) AURKAAURKBMAPK7MAOB
SCHEMBL4962333 0.91 MAPK7 (0.48) AURKAAURKBMAPK7MAOAMAOB
SCHEMBL4965011 0.90 MAPK7 (0.52) AURKAAURKBMAPK7
SCHEMBL4964717 0.90 CHEK1 (0.48) AURKAAURKBMAPK7CHEK1
SCHEMBL4964964 0.90 CHEK1 (0.54) AURKAAURKBMAPK7EGFRBRAF
SCHEMBL4963778 0.89 AURKA (0.52) AURKAAURKBMAPK7
SCHEMBL4963499 0.89 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 AURKA 94/4885AURKB 44/4885MAPK7 489/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG AURKA 174/4885AURKB 41/4885MAPK7 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.