SCHEMBL9966489

SCHEMBL9966489

Cc1cnccc1NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5AP P20292 5/20 0.40
FFAR2 O15552 2/20 0.38
PKM P14618 1/20 0.38
HSD11B1 P28845 1/20 0.37
HTT P42858 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
SCHEMBL9966281 0.83 LMNA (0.60) IDO1HDAC1ALDH1A1LMNANPSR1
SCHEMBL9935698 0.81 ALDH1A1 (0.47) IDO1HDAC1ALDH1A1LMNANPSR1
SCHEMBL9935555 0.81 ALDH1A1 (0.47) IDO1HDAC1ALDH1A1LMNANPSR1
SCHEMBL9936407 0.81 LMNA (0.63) HDAC1ALDH1A1LMNANPSR1ALOX5AP
SCHEMBL9966453 0.81 ALOX5AP (0.48) IDO1HDAC1ALDH1A1LMNANPSR1
SCHEMBL9966188 0.81 ALDH1A1 (0.65) IDO1HDAC1ALDH1A1LMNANPSR1
SCHEMBL9936886 0.79 IDO1 (0.48) IDO1HDAC1ALDH1A1LMNANPSR1
SCHEMBL9966184 0.79 IDO1 (0.48) IDO1HDAC1ALDH1A1LMNANPSR1
SCHEMBL9936839 0.79 IDO1 (0.58) IDO1HDAC1ALDH1A1ALOX5APHTT
SCHEMBL9966581 0.78 LMNA (0.64) IDO1ALDH1A1LMNAALOX5APFFAR2

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 IDO1 819/4885IKBKE 1212/4885TBK1 2844/4885

“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.