SCHEMBL9936469

SCHEMBL9936469

COc1cncc(-c2ccc(N)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.57
CYP11B2 P19099 6/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
INPPL1 O15357 3/20 0.54
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
PIK3CD O00329 3/20 0.47
CYP2C19 P33261 1/20 0.46
ALOX5AP P20292 1/20 0.45
LTA4H P09960 1/20 0.45
MAP4K4 O95819 2/20 0.45
PIK3CG P48736 1/20 0.44
BACE1 P56817 1/20 0.43

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
SCHEMBL21076862 0.84 INPPL1 (0.59) CYP11B1CYP11B2INPPL1PIK3CDLTA4H
SCHEMBL22869172 0.81 INPPL1 (0.56) CYP11B1CYP11B2CYP3A4CYP2C9INPPL1
SCHEMBL22869164 0.81 CYP1A1 (0.55) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL21044298 0.81 MKNK1 (0.64) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4500005 0.80 LTA4H (0.61) MKNK1MKNK2PIK3CDLTA4HMAP4K4
SCHEMBL12486978 0.80 MAP4K4 (0.62) MAP4K4BACE1
SCHEMBL5702666 0.80 CYP1A1 (0.74) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL21044530 0.80 INPPL1 (0.57) CYP11B1CYP11B2CYP1A2INPPL1PIK3CD
SCHEMBL21960161 0.78 CYP11B1 (0.73) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL16836034 0.77 PIK3CD (0.51) CYP11B1CYP11B2CYP1A2MKNK1MKNK2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US disclosed
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
EP-2651930-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP 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
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 (3 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CYP11B1 1418/4885CYP11B2 1869/4885CYP1A2 2762/4885
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S CYP11B1 119/4885CYP11B2 155/4885CYP1A2 169/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CYP11B1 5/4885CYP11B2 6/4885CYP1A2 8/4885

“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.