SCHEMBL9966458

SCHEMBL9966458

COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
DYRK1A Q13627 2/20 0.46
MAP4K4 O95819 1/20 0.44
POLB P06746 3/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC2A1 P11166 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
WNT3A P56704 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ELOVL1 Q9BW60 1/20 0.37
CTPS1 P17812 2/20 0.37
HDAC1 Q13547 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
SCHEMBL9966366 0.89 MAP4K4 (0.46) MAP4K4POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL9966360 0.88 GSK3B (0.50) GSK3BDYRK1AMAP4K4POLBCYP2C9
SCHEMBL14295962 0.85 MAP4K4 (0.50) MAP4K4CYP2C9ALDH1A1KMT2ACTPS1
SCHEMBL9966287 0.82 GSK3B (0.47) GSK3BDYRK1APOLBCYP2C9CYP2C19
SCHEMBL9936397 0.82 MAP4K4 (0.47) MAP4K4CYP2C9ELOVL1CTPS1HDAC1
SCHEMBL9966419 0.81 GSK3B (0.48) GSK3BDYRK1AMAP4K4POLBCYP2C9
SCHEMBL9966364 0.81 GSK3B (0.49) GSK3BDYRK1AMAP4K4POLBCYP2C9
SCHEMBL9940268 0.81 MAP4K4 (0.44) MAP4K4POLBALDH1A1HPGDKMT2A
SCHEMBL9966253 0.80 MKNK1 (0.44) GSK3BDYRK1AALDH1A1MKNK1MKNK2
SCHEMBL9966466 0.80 GSK3B (0.44) GSK3BDYRK1APOLBCYP2C9CYP2C19

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 GSK3B 2554/4885DYRK1A 2710/4885MAP4K4 3244/4885

“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.