SCHEMBL5604728

SCHEMBL5604728

O=C(O)N1CCC(c2ncnc3cc(OCCN4CCC[C@H]4CO)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 9/20 0.45
AURKA O14965 6/20 0.45
HRH3 Q9Y5N1 2/20 0.40
ESR1 P03372 2/20 0.40
ESRRG P62508 2/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
AURKB Q96GD4 4/20 0.39

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
SCHEMBL4965317 1.00 MAPK7 (0.45) MAPK7AURKAHRH3ESR1ESRRG
SCHEMBL5137699 0.96 AURKA (0.49) MAPK7AURKAHRH3AURKB
SCHEMBL5006918 0.96 AURKA (0.49) MAPK7AURKAHRH3AURKB
SCHEMBL3568186 0.87 AURKA (0.45) MAPK7AURKAHRH3ESR1ESRRG
SCHEMBL3568181 0.87 AURKA (0.45) MAPK7AURKAHRH3ESR1ESRRG
SCHEMBL4963499 0.85 MAPK7 (0.52) MAPK7
SCHEMBL12049310 0.84 AURKA (0.45) AURKAAURKB
SCHEMBL5138448 0.84 MAPK7 (0.49) MAPK7AURKAHRH3AURKB
SCHEMBL4965011 0.84 MAPK7 (0.52) MAPK7AURKAAURKB
SCHEMBL4969423 0.83 MAPK7 (0.49) 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 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 MAPK7 489/4885AURKA 94/4885HRH3 1117/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG MAPK7 957/4885AURKA 174/4885HRH3 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.