SCHEMBL4963809

SCHEMBL4963809

CC(=O)N1CCN(CCOc2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.50
DRD3 P35462 1/20 0.49
MAPK7 Q13164 12/20 0.49
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
AR P10275 2/20 0.43
BRD4 O60885 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
MCHR1 Q99705 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 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
SCHEMBL4962333 0.95 MAPK7 (0.48) GRM4DRD3MAPK7MCHR1AURKA
SCHEMBL4966483 0.93 MAPK7 (0.50) GRM4MAPK7AURKAAURKB
SCHEMBL5138448 0.90 MAPK7 (0.49) GRM4MAPK7AURKAAURKB
SCHEMBL3564710 0.89 DRD3 (0.49) GRM4DRD3MAPK7CYP4F2CYP4A11
SCHEMBL4963575 0.88 CHEK1 (0.49) GRM4MAPK7AURKAAURKB
SCHEMBL4965030 0.88 AURKA (0.53) DRD3MAPK7KCNH2HTR1AAURKA
SCHEMBL4964489 0.87 MAPK7 (0.49) MAPK7AURKAAURKB
SCHEMBL4966834 0.86 MAPK7 (0.47) MAPK7BRD4AURKAAURKB
SCHEMBL4966697 0.86 AURKA (0.53) MAPK7AURKAAURKB
SCHEMBL5605022 0.86 MAPK7 (0.51) MAPK7CYP4F2CYP4A11AURKA

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 GRM4 1539/4885DRD3 2419/4885MAPK7 489/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG GRM4 3091/4885DRD3 4733/4885MAPK7 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.