SCHEMBL5074996

SCHEMBL5074996

CC(=O)N1CCN(c2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 15/20 0.45
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
CLK1 P49759 1/20 0.41
CASP6 P55212 1/20 0.40
GFER P55789 1/20 0.40
PRKDC P78527 1/20 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
SCHEMBL4963225 0.90 MAPK7 (0.49) MAPK7PRKDC
SCHEMBL4964747 0.89 PRKDC (0.48) MAPK7PRKDC
SCHEMBL4966887 0.89 MAPK7 (0.46) MAPK7PRKDC
SCHEMBL4962790 0.88 MAPK7 (0.44) MAPK7
SCHEMBL3566238 0.87 ACVR1 (0.45) MAPK7ACHEBACE1CLK1CASP6
SCHEMBL4963766 0.87 MAPK7 (0.43) MAPK7PRKDC
SCHEMBL4964946 0.87 MAPK7 (0.42) MAPK7
SCHEMBL4965316 0.87 MAPK7 (0.46) MAPK7PRKDC
SCHEMBL4964148 0.87 MAPK7 (0.47) MAPK7PRKDC
SCHEMBL4965302 0.87 MAPK7 (0.43) MAPK7PRKDC

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 5 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
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
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 489/4885ACHE 4092/4885BACE1 2668/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG MAPK7 957/4885ACHE 4875/4885BACE1 2245/4885

“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.