SCHEMBL9966562

SCHEMBL9966562

Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(C)c5)cc4)CCOCC3)nc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.41
HDAC1 Q13547 2/20 0.40
POLB P06746 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
HPGD P15428 1/20 0.39
PIK3CA P42336 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CFTR P13569 5/20 0.37
LMNA P02545 1/20 0.36
CTPS1 P17812 1/20 0.36

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
SCHEMBL9940268 0.90 MAP4K4 (0.44) MAP4K4ABL1HDAC1POLBALDH1A1
SCHEMBL9966438 0.89 ABL1 (0.43) MAP4K4ABL1HDAC1ALDH1A1USP2
SCHEMBL9966265 0.89 HDAC1 (0.42) MAP4K4ABL1HDAC1ALDH1A1USP2
SCHEMBL14244013 0.88 HPGD (0.41) MAP4K4ABL1HDAC1ALDH1A1USP2
SCHEMBL9940475 0.87 HDAC1 (0.43) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9966392 0.86 HDAC1 (0.48) ABL1HDAC1POLBALDH1A1USP2
SCHEMBL14246403 0.85 PIK3CA (0.40) MAP4K4ABL1HDAC1POLBALDH1A1
SCHEMBL9966541 0.85 HDAC1 (0.42) ABL1HDAC1ALDH1A1USP2TSHR
SCHEMBL9940355 0.85 ABL1 (0.44) MAP4K4ABL1HDAC1POLBALDH1A1
SCHEMBL9966566 0.84 ABL1 (0.41) MAP4K4ABL1HDAC1POLBALDH1A1

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 MAP4K4 3244/4885ABL1 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.