SCHEMBL9966355

SCHEMBL9966355

COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
HDAC1 Q13547 3/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MAP4K4 O95819 1/20 0.41
PIK3CA P42336 3/20 0.41
HPGD P15428 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MTOR P42345 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CTPS1 P17812 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL9936451 0.91 IDO1 (0.45) HDAC1MKNK1MKNK2ALDH1A1LMNA
SCHEMBL9966280 0.90 POLB (0.50) POLBHDAC1PIK3CAHPGDCYP2C9
SCHEMBL9966217 0.86 HDAC1 (0.46) POLBHDAC1MAP4K4HPGDCYP2C9
SCHEMBL9966360 0.86 GSK3B (0.50) POLBHDAC1MKNK1MKNK2MAP4K4
SCHEMBL9966350 0.86 LMNA (0.48) POLBHDAC1MAP4K4CYP2C9CYP2C19
SCHEMBL9966366 0.86 MAP4K4 (0.46) POLBHDAC1MKNK1MKNK2CD274
SCHEMBL14315749 0.86 HDAC1 (0.48) POLBHDAC1MAP4K4CYP2C9CYP2C19
SCHEMBL9966578 0.83 ALOX5AP (0.48)
SCHEMBL9935831 0.83 POLB (0.47) POLBHDAC1MAP4K4CYP2C9CYP2C19
SCHEMBL9966373 0.83 CD274 (0.42) POLBHDAC1MKNK2CD274MAP4K4

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 7 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-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 POLB 1304/4885HDAC1 1448/4885MKNK1 4762/4885

“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.