SCHEMBL9966464

SCHEMBL9966464

Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)nc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
ELOVL1 Q9BW60 1/20 0.43
RAB9A P51151 8/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.40
GFER P55789 1/20 0.40
CFTR P13569 5/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9966289 0.96 ABL1 (0.46) ABL1ELOVL1RAB9ANPC1SMN1; SMN2
SCHEMBL14295863 0.96 ABL1 (0.46) ABL1ELOVL1RAB9ANPC1SMN1; SMN2
SCHEMBL9966241 0.95 ABL1 (0.45) ABL1ELOVL1RAB9ANPC1SMN1; SMN2
SCHEMBL9966438 0.93 ABL1 (0.43) ABL1ELOVL1RAB9ANPC1SMN1; SMN2
SCHEMBL14244230 0.88 ALOX5AP (0.44) ABL1
SCHEMBL9966219 0.86 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1GFER
SCHEMBL9966265 0.85 HDAC1 (0.42) ABL1ELOVL1RAB9ANPC1SMN1; SMN2
SCHEMBL9966234 0.85 HDAC1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1GFER
SCHEMBL9966255 0.83 ABL1 (0.43) ABL1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9966541 0.83 HDAC1 (0.42) ABL1ELOVL1RAB9ANPC1SMN1; SMN2

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 1133/4885ELOVL1 222/4885RAB9A 1585/4885

“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.