SCHEMBL5604047

SCHEMBL5604047

CC(=O)N1CC[C@@H](Oc2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 17/20 0.51
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL5604053 1.00 MAPK7 (0.51) MAPK7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4966462 0.95 MAPK7 (0.52) MAPK7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4966241 0.90 MAPK7 (0.52) MAPK7
SCHEMBL3569114 0.88 MAPK7 (0.49) MAPK7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3569118 0.88 MAPK7 (0.49) MAPK7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5074817 0.87 MAPK7 (0.48) MAPK7
SCHEMBL5603654 0.87 MAPK7 (0.48) MAPK7
SCHEMBL4964391 0.85 MAPK7 (0.51) MAPK7
SCHEMBL4965016 0.85 MAPK7 (0.49) MAPK7
SCHEMBL4963703 0.84 MAPK7 (0.50) 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 489/4885PIK3CD 438/4885PIK3CA 364/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG MAPK7 957/4885PIK3CD 1089/4885PIK3CA 712/4885

“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.