SCHEMBL872730

SCHEMBL872730

N#CC1(c2ccc(-c3cnc(N)cn3)nc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 12/20 0.45
MAP4K4 O95819 1/20 0.40
MAP3K12 Q12852 2/20 0.35
FEN1 P39748 3/20 0.35
CYP1A2 P05177 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32

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
SCHEMBL20489483 0.85 MAP4K4 (0.45) ALOX5APMAP4K4MAP3K12PIK3CD
SCHEMBL13835448 0.81 ALOX5AP (0.45) ALOX5APMAP4K4CYP1A2FGFR1FGFR4
SCHEMBL881809 0.80 ALOX5AP (0.50) ALOX5APMAP4K4MAP3K12
SCHEMBL13960422 0.79 MAP4K4 (0.36) ALOX5APMAP4K4MAP3K12FGFR1FGFR4
SCHEMBL881808 0.79 ALOX5AP (0.46) ALOX5APFEN1PIK3CDPIK3R1SLC6A2
SCHEMBL16702524 0.78 MAP4K4 (0.41) MAP4K4CYP1A2PIK3CD
SCHEMBL30058591 0.78 MAP4K4 (0.41) MAP4K4CYP1A2PIK3CD
SCHEMBL12077769 0.74 ALOX5AP (0.41) ALOX5APMAP4K4FEN1CYP1A2PIK3CD
SCHEMBL30485528 0.72 MAP4K4 (0.42) MAP4K4MAP3K12CYP1A2
SCHEMBL876741 0.72 MAP4K4 (0.45) ALOX5APMAP4K4MAP3K12SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619197-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-05 EP disclosed
EP-2619197-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-05 EP disclosed
US-8575201-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-8575201-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-8575201-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
EP-2619197-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-07-31 EP disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
WO-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 WO disclosed
WO-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 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-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 ALOX5AP 16/4885MAP4K4 3673/4885MAP3K12 3168/4885

“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.