SCHEMBL9936397

SCHEMBL9936397

N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)c(CO)c4)cc3)CCOCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.47
FGFR4 P22455 2/20 0.39
ELOVL1 Q9BW60 1/20 0.38
MINK1 Q8N4C8 1/20 0.37
TNIK Q9UKE5 1/20 0.37
CTSC P53634 1/20 0.37
KCNH2 Q12809 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HDAC1 Q13547 2/20 0.37
PORCN Q9H237 2/20 0.36
CACNA1H O95180 1/20 0.36
CTPS1 P17812 1/20 0.36
DEGS1 O15121 1/20 0.36
USP30 Q70CQ3 1/20 0.35
CYP2C9 P11712 2/20 0.35
IDO1 P14902 2/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL14295962 0.88 MAP4K4 (0.50) MAP4K4HDAC1CTPS1CYP2C9IDO1
SCHEMBL9966516 0.85 MAP4K4 (0.41) MAP4K4FGFR4ELOVL1CTSCKCNH2
SCHEMBL9966366 0.84 MAP4K4 (0.46) MAP4K4KCNH2HDAC1CTPS1CYP2C9
SCHEMBL9966458 0.82 GSK3B (0.46) MAP4K4ELOVL1HDAC1CTPS1CYP2C9
SCHEMBL9940268 0.82 MAP4K4 (0.44) MAP4K4HDAC1CTPS1
SCHEMBL9966319 0.77 MAP4K4 (0.43) MAP4K4ELOVL1CTSCKCNH2LTB4R
SCHEMBL9966385 0.77 MAP4K4 (0.44) MAP4K4KCNH2HDAC1CYP2C9IDO1
SCHEMBL9966555 0.77 HDAC1 (0.43) FGFR4ELOVL1HDAC1PORCNCACNA1H
SCHEMBL14295871 0.73 KMT2A (0.39) FGFR4ELOVL1HDAC1USP30CYP2C9
SCHEMBL9966509 0.73 MAP4K4 (0.40) MAP4K4HDAC1CTPS1CYP2C9IDO1

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-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
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
EP-2651930-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP 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
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 MAP4K4 3244/4885FGFR4 1855/4885ELOVL1 222/4885

“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.