SCHEMBL5605022

SCHEMBL5605022

CC(=O)N1CCC(COc2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 11/20 0.51
F10 P00742 2/20 0.46
KDR P35968 5/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CHEK2 O96017 1/20 0.43
AURKA O14965 1/20 0.42
CDK1 P06493 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL4964909 0.92 KDR (0.54) MAPK7KDRAURKACDK1PDGFRB
SCHEMBL3563000 0.89 MAPK7 (0.48) MAPK7F10KDRCYP4F2CYP4A11
SCHEMBL4963303 0.88 MAPK7 (0.49) MAPK7KDR
SCHEMBL4963809 0.86 GRM4 (0.50) MAPK7CYP4F2CYP4A11AURKA
SCHEMBL5604309 0.85 MAPK7 (0.48) MAPK7KDR
SCHEMBL5604303 0.85 MAPK7 (0.48) MAPK7KDR
SCHEMBL4962333 0.85 MAPK7 (0.48) MAPK7AURKA
SCHEMBL4966588 0.83 MAPK7 (0.68) MAPK7
SCHEMBL4966462 0.83 MAPK7 (0.52) MAPK7
SCHEMBL4969415 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 489/4885F10 1447/4885KDR 31/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG MAPK7 957/4885F10 2480/4885KDR 257/4885

“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.