SCHEMBL9940355

SCHEMBL9940355

Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
PIK3C3 Q8NEB9 1/20 0.41
HDAC1 Q13547 2/20 0.41
CD274 Q9NZQ7 1/20 0.41
RIPK1 Q13546 2/20 0.40
PLK4 O00444 2/20 0.40
MAP4K4 O95819 2/20 0.40
ROS1 P08922 2/20 0.40
MARK3 P27448 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
CLK2 P49760 2/20 0.40
CSNK1G2 P78368 2/20 0.40
ROCK1 Q13464 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
AURKB Q96GD4 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
MAP4K5 Q9Y4K4 2/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL17210407 0.90 CD274 (0.41) ABL1PIK3C3HDAC1CD274RIPK1
SCHEMBL9966566 0.88 ABL1 (0.41) ABL1HDAC1MAP4K4POLBUSP2
SCHEMBL17209602 0.87 IDO1 (0.45) ABL1PIK3C3HDAC1CD274RIPK1
SCHEMBL9940475 0.85 HDAC1 (0.43) ABL1HDAC1USP2ALDH1A1TSHR
SCHEMBL9966562 0.85 MAP4K4 (0.44) ABL1HDAC1MAP4K4POLBUSP2
SCHEMBL9966438 0.84 ABL1 (0.43) ABL1HDAC1MAP4K4USP2ALDH1A1
SCHEMBL9966392 0.84 HDAC1 (0.48) ABL1HDAC1POLBUSP2ALDH1A1
SCHEMBL9966541 0.84 HDAC1 (0.42) ABL1HDAC1USP2ALDH1A1TSHR
SCHEMBL9966265 0.84 HDAC1 (0.42) ABL1HDAC1MAP4K4USP2ALDH1A1
SCHEMBL9966373 0.83 CD274 (0.42) PIK3C3HDAC1CD274RIPK1PLK4

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 ABL1 1133/4885PIK3C3 3855/4885HDAC1 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.