SCHEMBL4150264

SCHEMBL4150264

CN(C)C1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(Cl)cc5)cc34)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 20/20 0.68

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
SCHEMBL4153192 1.00 MAPKAPK2 (0.68) MAPKAPK2
SCHEMBL4163094 1.00 MAPKAPK2 (0.68) MAPKAPK2
SCHEMBL4138701 0.92 MAPKAPK2 (0.70) MAPKAPK2
SCHEMBL4161214 0.92 MAPKAPK2 (0.57) MAPKAPK2
SCHEMBL4143228 0.92 MAPKAPK2 (0.68) MAPKAPK2
SCHEMBL4146762 0.91 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL4154112 0.91 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL4145451 0.90 MAPKAPK2 (0.55) MAPKAPK2
SCHEMBL4147892 0.90 MAPKAPK2 (0.55) MAPKAPK2
SCHEMBL4161518 0.90 MAPKAPK2 (0.55) MAPKAPK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452887-B2 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AMPHORA DISCOVERY CORPORATION (US) 2008-11-18 US claimed
US-20090069338-A1 Method for predicting skin sensitizing activity of compounds DICKSON JR JOHN K 2009-03-12 US disclosed
US-7452887-B2 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AMPHORA DISCOVERY CORPORATION (US) 2008-11-18 US disclosed
EP-1781293-A1 QUINOLINE- AND ISOQUINOLINE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2007-05-09 EP disclosed
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AGRIUS GROUP, LLC. 2006-01-12 US disclosed
WO-2005120509-A1 QUINOLINE- AND ISOQUINOLINE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-12-22 WO 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-20090069338-A1 Method for predicting skin sensitizing activity of compounds ATP5ME, ABCG2, ATP5MG MAPKAPK2 2584/4885
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK MAPKAPK2 3066/4885

“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.