SCHEMBL4160853

SCHEMBL4160853

COc1ccc(OC)c(-c2ccc3nccc(Nc4ccc(N5CCN(C)CC5)cc4)c3c2)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 15/20 0.75
RAD52 P43351 2/20 0.58
DNMT1 P26358 1/20 0.58
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
EGFR P00533 1/20 0.55
ERBB3 P21860 1/20 0.55
TNIK Q9UKE5 1/20 0.55
GFER P55789 1/20 0.53

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
SCHEMBL4141254 0.93 MAPKAPK2 (0.75) MAPKAPK2RAD52DNMT1ADRA2AADRA2B
SCHEMBL4146884 0.90 MAPKAPK2 (0.75) MAPKAPK2RAD52ADRA2AADRA2BADRA2C
SCHEMBL4154375 0.89 MAPKAPK2 (0.74) MAPKAPK2RAD52ADRA2AADRA2BADRA2C
SCHEMBL4154340 0.89 MAPKAPK2 (0.84) MAPKAPK2RAD52DNMT1ADRA2AADRA2B
SCHEMBL4151597 0.89 MAPKAPK2 (0.64) MAPKAPK2RAD52ADRA2AADRA2BADRA2C
SCHEMBL4151153 0.88 MAPKAPK2 (0.76) MAPKAPK2RAD52DNMT1ADRA2AADRA2B
SCHEMBL4150240 0.86 MAPKAPK2 (1.00) MAPKAPK2RAD52DNMT1ADRA2AADRA2B
SCHEMBL31464351 0.85 MAPKAPK2 (0.73) MAPKAPK2RAD52ADRA2AADRA2BADRA2C
SCHEMBL4142746 0.81 MAPKAPK2 (0.76) MAPKAPK2RAD52ADRA2AADRA2BADRA2C
SCHEMBL4154295 0.80 MAPKAPK2 (0.85) MAPKAPK2RAD52ADRA2AADRA2BADRA2C

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 2584/4885RAD52 388/4885DNMT1 1919/4885
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK MAPKAPK2 3066/4885RAD52 1543/4885DNMT1 2238/4885

“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.