SCHEMBL5604236

SCHEMBL5604236

O=C(O)N1CCC(c2ncnc3cc(OCCCN4CCCCC4)ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.53
AURKB Q96GD4 9/20 0.53
HRH3 Q9Y5N1 8/20 0.49
MAPK7 Q13164 2/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 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
SCHEMBL5075226 0.99 AURKA (0.52) AURKAAURKBHRH3MAPK7KDM4E
SCHEMBL5138448 0.95 MAPK7 (0.49) AURKAAURKBHRH3MAPK7KDM4E
SCHEMBL4963778 0.92 AURKA (0.52) AURKAAURKBHRH3MAPK7KCNH2
SCHEMBL4965030 0.91 AURKA (0.53) AURKAAURKBHRH3MAPK7KCNH2
SCHEMBL4966697 0.91 AURKA (0.53) AURKAAURKBMAPK7MAOB
SCHEMBL4964489 0.91 MAPK7 (0.49) AURKAAURKBMAPK7
SCHEMBL4964964 0.91 CHEK1 (0.54) AURKAAURKBHRH3MAPK7KCNH2
SCHEMBL4964717 0.91 CHEK1 (0.48) AURKAAURKBMAPK7ALDH1A1SMN1; SMN2
SCHEMBL4962333 0.90 MAPK7 (0.48) AURKAAURKBHRH3MAPK7MAOB
SCHEMBL4962787 0.87 MAPK7 (0.46) AURKAAURKBHRH3MAPK7

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 3 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
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US 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 44/4885HRH3 1117/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG AURKA 174/4885AURKB 41/4885HRH3 2442/4885

“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.