SCHEMBL9966255

SCHEMBL9966255

Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
HPGD P15428 2/20 0.40
CTPS1 P17812 1/20 0.40
ALOX5AP P20292 4/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL9966438 0.90 ABL1 (0.43) ABL1HPGDCTPS1KDM4EALDH1A1
SCHEMBL9966265 0.84 HDAC1 (0.42) ABL1HPGDCTPS1KDM4EALDH1A1
SCHEMBL9966464 0.83 ABL1 (0.47) ABL1HPGDKDM4EALDH1A1KMT2A
SCHEMBL9966234 0.82 HDAC1 (0.50) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL9940475 0.81 HDAC1 (0.43) ABL1HPGDCTPS1KDM4EALDH1A1
SCHEMBL9966289 0.81 ABL1 (0.46) ABL1HPGDALOX5APALDH1A1KMT2A
SCHEMBL14295863 0.81 ABL1 (0.46) ABL1HPGDALDH1A1KMT2ARAB9A
SCHEMBL9966392 0.80 HDAC1 (0.48) ABL1HPGDKDM4EALDH1A1KMT2A
SCHEMBL9966241 0.80 ABL1 (0.45) ABL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9966541 0.80 HDAC1 (0.42) ABL1HPGDCTPS1KDM4EALDH1A1

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 ABL1 1133/4885HPGD 788/4885CTPS1 460/4885

“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.