SCHEMBL10241314

SCHEMBL10241314

N#CC1(c2ccc(-c3cnc(N)nc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
ALOX5AP P20292 12/20 0.45
MAP4K1 Q92918 1/20 0.41
MAP3K12 Q12852 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL10241776 0.94 MAP4K4 (0.57) MAP4K4ALOX5APMAP3K12HSD11B1
SCHEMBL11993801 0.90 MAP4K4 (0.48) MAP4K4ALOX5APMAP4K1MAP3K12
SCHEMBL11993798 0.86 MAP4K4 (0.44) MAP4K4ALOX5APMAP4K1MAP3K12LMNA
SCHEMBL11993800 0.84 MAP4K4 (0.43) MAP4K4ALOX5APMAP3K12LMNAMAPT
SCHEMBL11972823 0.78 ALOX5AP (0.39) MAP4K4ALOX5APMAP3K12LMNAMAPT
SCHEMBL881809 0.77 ALOX5AP (0.50) MAP4K4ALOX5APMAP3K12
SCHEMBL876202 0.76 MAP3K12 (0.50) MAP4K4ALOX5APMAP3K12
SCHEMBL343694 0.74 OPRM1 (0.49)
SCHEMBL995890 0.74 OPRM1 (0.46) MAP4K4
SCHEMBL30058591 0.74 MAP4K4 (0.41) MAP4K4CYP1A2

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-2609092-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-04-01 EP disclosed
EP-2609092-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-04-01 EP disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 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-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 MAP4K4 3878/4885ALOX5AP 17/4885MAP4K1 3611/4885

“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.