SCHEMBL9940190

SCHEMBL9940190

Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.44
ABL1 P00519 2/20 0.40
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MMP12 P39900 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CTPS1 P17812 1/20 0.35
ELOVL1 Q9BW60 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
MAP4K4 O95819 1/20 0.35
CFTR P13569 4/20 0.34
WNT3A P56704 1/20 0.34

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
SCHEMBL9966414 0.91 NPC1 (0.42) PIK3C3ABL1HDAC1ALDH1A1USP2
SCHEMBL9940475 0.83 HDAC1 (0.43) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9940355 0.83 ABL1 (0.44) PIK3C3ABL1HDAC1ALDH1A1USP2
SCHEMBL9966562 0.83 MAP4K4 (0.44) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9966438 0.82 ABL1 (0.43) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9966566 0.82 ABL1 (0.41) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9966392 0.82 HDAC1 (0.48) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9966265 0.81 HDAC1 (0.42) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9966541 0.81 HDAC1 (0.42) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9966466 0.81 GSK3B (0.44) PIK3C3ABL1HDAC1ALDH1A1HPGD

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 PIK3C3 3855/4885ABL1 1133/4885HDAC1 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.