SCHEMBL881809

SCHEMBL881809

N#CC1(c2ccc(-c3cnc(N)nc3)nc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 17/20 0.50
MAP3K12 Q12852 2/20 0.50
MAP4K4 O95819 1/20 0.45

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 0.84 MAP4K4 (0.57) ALOX5APMAP3K12MAP4K4
SCHEMBL13960419 0.82 ALOX5AP (0.41) ALOX5APMAP3K12MAP4K4
SCHEMBL872730 0.80 ALOX5AP (0.45) ALOX5APMAP3K12MAP4K4
SCHEMBL10156248 0.79 ALOX5AP (0.51) ALOX5AP
SCHEMBL20489483 0.79 MAP4K4 (0.45) ALOX5APMAP3K12MAP4K4
SCHEMBL10241314 0.77 MAP4K4 (0.53) ALOX5APMAP3K12MAP4K4
SCHEMBL30485528 0.75 MAP4K4 (0.42) MAP3K12MAP4K4
SCHEMBL18000504 0.75 MAP4K4 (0.42) MAP3K12MAP4K4
SCHEMBL13960422 0.74 MAP4K4 (0.36) ALOX5APMAP3K12MAP4K4
SCHEMBL876202 0.74 MAP3K12 (0.50) ALOX5APMAP3K12MAP4K4

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-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
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

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 16/4885MAP3K12 3168/4885MAP4K4 3673/4885

“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.