SCHEMBL9966527

SCHEMBL9966527

O=C(Nc1ccncn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
RIPK1 Q13546 4/20 0.46
PIK3C3 Q8NEB9 1/20 0.44
HDAC1 Q13547 1/20 0.44
CDK8 P49336 6/20 0.41
AXL P30530 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CDK7 P50613 2/20 0.40
LRRK2 Q5S007 2/20 0.40
CCNT1 O60563 1/20 0.40
CCND1 P24385 1/20 0.40
CCNC P24863 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK6 Q00534 1/20 0.40

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 0.81 CDK8 (0.46) RIPK1PIK3C3HDAC1CDK8AXL
SCHEMBL9966453 0.81 ALOX5AP (0.48) HDAC1ALDH1A1HTTMAP4K4
SCHEMBL14295862 0.80 PIK3C3 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL9966272 0.80 HDAC1 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL9966269 0.78 CDK8 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL17209602 0.77 IDO1 (0.45) RIPK1PIK3C3HDAC1CDK8AXL
SCHEMBL9966373 0.75 CD274 (0.42) RIPK1PIK3C3HDAC1CDK8CDK7
SCHEMBL14295931 0.75 CD274 (0.42) RIPK1PIK3C3CDK8PLK4MAP4K4
SCHEMBL9966364 0.75 GSK3B (0.49) RIPK1PIK3C3HDAC1CDK8PLK4
SCHEMBL9966465 0.74 CDK8 (0.43) RIPK1HDAC1CDK8AXLPLK4

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 8 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
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 PIK3CD 2662/4885PIK3CA 1529/4885PIK3CB 1369/4885

“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.