SCHEMBL9966429

SCHEMBL9966429

Cn1cnc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.42
MAP4K4 O95819 1/20 0.42
HDAC1 Q13547 2/20 0.42
EP300 Q09472 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CDK9 P50750 1/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
LMNA P02545 1/20 0.38
WNT1 P04628 1/20 0.37
ALOX5 P09917 1/20 0.37
CTPS1 P17812 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9966578 0.86 ALOX5AP (0.48) ALOX5APEP300SLC6A3GSK3BDYRK1A
SCHEMBL9966350 0.85 LMNA (0.48) MAP4K4HDAC1LMNAUSP2ALDH1A1
SCHEMBL14315749 0.85 HDAC1 (0.48) ALOX5APMAP4K4HDAC1LMNAUSP2
SCHEMBL9966274 0.85 ALOX5 (0.52) ALOX5APMAP4K4HDAC1SLC6A3GSK3B
SCHEMBL9935831 0.82 POLB (0.47) MAP4K4HDAC1LMNAUSP2ALDH1A1
SCHEMBL9966217 0.82 HDAC1 (0.46) MAP4K4HDAC1LMNACTPS1USP2
SCHEMBL9936505 0.82 HDAC1 (0.42) ALOX5APMAP4K4HDAC1LMNACTPS1
SCHEMBL9966430 0.82 ALOX5AP (0.48) ALOX5APMAP4K4HDAC1LMNACTPS1
SCHEMBL9966355 0.82 POLB (0.43) MAP4K4HDAC1LMNACTPS1ALDH1A1
SCHEMBL9966351 0.81 RAB9A (0.45) MAP4K4HDAC1LMNAUSP2ALDH1A1

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-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
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

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 ALOX5AP 43/4885MAP4K4 3244/4885HDAC1 1448/4885

“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.