SCHEMBL9966465

SCHEMBL9966465

O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 6/20 0.43
AXL P30530 1/20 0.43
FLT3 P36888 2/20 0.42
MAP4K4 O95819 2/20 0.42
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
ROS1 P08922 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
MARK3 P27448 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK1G2 P78368 1/20 0.42
MAP4K2 Q12851 1/20 0.42
ROCK1 Q13464 1/20 0.42
NTRK3 Q16288 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
AURKB Q96GD4 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL9966477 0.92 CDK8 (0.46) CDK8AXLFLT3MAP4K4PLK4
SCHEMBL17209602 0.84 IDO1 (0.45) CDK8AXLFLT3MAP4K4PLK4
SCHEMBL9966577 0.84 POLB (0.42) MAP4K4HDAC1POLB
SCHEMBL9966373 0.84 CD274 (0.42) CDK8FLT3MAP4K4PLK4JAK2
SCHEMBL9966364 0.83 GSK3B (0.49) CDK8FLT3MAP4K4PLK4JAK2
SCHEMBL9940355 0.81 ABL1 (0.44) CDK8FLT3MAP4K4PLK4JAK2
SCHEMBL14295931 0.80 CD274 (0.42) CDK8FLT3MAP4K4PLK4JAK2
SCHEMBL17210407 0.79 CD274 (0.41) CDK8FLT3MAP4K4PLK4JAK2
SCHEMBL13854142 0.76 CDK8 (0.74) CDK8AXLFLT3MAP4K4PLK4
SCHEMBL9966480 0.76 HDAC1 (0.47) HDAC1ALOX5AP

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 9 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-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
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 CDK8 2218/4885AXL 4051/4885FLT3 572/4885

“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.