SCHEMBL13835448

SCHEMBL13835448

CNc1cnc(-c2ccc(C3(C#N)CCC3)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.45
MAP4K4 O95819 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 3/20 0.32
FGFR1 P11362 1/20 0.31
FGFR4 P22455 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL872730 0.81 ALOX5AP (0.45) ALOX5APMAP4K4CYP1A2FGFR1FGFR4
SCHEMBL13960419 0.80 ALOX5AP (0.41) ALOX5APMAP4K4CYP1A2MAPT
SCHEMBL21017413 0.79 HCAR3 (0.39) OPRM1
SCHEMBL10156461 0.79 ALOX5AP (0.47) ALOX5AP
SCHEMBL881809 0.72 ALOX5AP (0.50) ALOX5APMAP4K4
SCHEMBL10155427 0.72 ALOX5AP (0.42) ALOX5AP
SCHEMBL876741 0.70 MAP4K4 (0.45) ALOX5APMAP4K4ALDH1A1MEN1NPC1
SCHEMBL20489483 0.70 MAP4K4 (0.45) ALOX5APMAP4K4ALDH1A1MEN1NPC1
SCHEMBL25512254 0.70 MAP4K4 (0.42) MAP4K4ALDH1A1MEN1NPC1RAB9A
SCHEMBL30485528 0.70 MAP4K4 (0.42) MAP4K4ALDH1A1MEN1NPC1RAB9A

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
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

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 3673/4885ALDH1A1 420/4885

“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.