SCHEMBL9966253

SCHEMBL9966253

COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
DYRK1A Q13627 3/20 0.44
GSK3B P49841 2/20 0.44
ELOVL1 Q9BW60 1/20 0.42
IDO1 P14902 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
WNT3A P56704 2/20 0.41
CYP11B2 P19099 1/20 0.41
GAA P10253 1/20 0.40
PIK3CB P42338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 2/20 0.39
ALOX5AP P20292 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL9966360 0.92 GSK3B (0.50) MKNK1MKNK2DYRK1AGSK3BELOVL1
SCHEMBL9966291 0.88 GAA (0.46) ELOVL1IDO1ALDH1A1MAPK1WNT3A
SCHEMBL9936451 0.85 IDO1 (0.45) MKNK1MKNK2IDO1ALDH1A1MAPK1
SCHEMBL9966287 0.83 GSK3B (0.47) MKNK1MKNK2DYRK1AGSK3BELOVL1
SCHEMBL9935698 0.83 ALDH1A1 (0.47) ELOVL1IDO1ALDH1A1WNT3AHDAC1
SCHEMBL9936839 0.82 IDO1 (0.58) DYRK1AGSK3BIDO1ALDH1A1WNT3A
SCHEMBL14244265 0.82 ALDH1A1 (0.54) IDO1ALDH1A1WNT3AHDAC1ALOX5AP
SCHEMBL9966524 0.81 HDAC1 (0.49) IDO1ALDH1A1MAPK1GAAKDM4E
SCHEMBL9936886 0.81 IDO1 (0.48) IDO1ALDH1A1WNT3AMAPTHDAC1
SCHEMBL14325150 0.81 HDAC1 (0.46) IDO1ALDH1A1HDAC1ALOX5APHTT

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
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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 (1 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S MKNK1 4762/4885MKNK2 4696/4885DYRK1A 2710/4885

“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.