SCHEMBL243294

SCHEMBL243294

[O]Cc1ccc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYP1A2 P05177 2/20 0.53
NCF1 P14598 1/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
LMNA P02545 1/20 0.46
MGAM O43451 1/20 0.45
PDE10A Q9Y233 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1262322 0.83 PDE10A (0.50) CYSLTR1CYSLTR2CYP1A2GPBAR1LMNA
SCHEMBL29693804 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL9080506 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL3267444 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL2913941 0.81 PDE10A (0.61) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL30879956 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL8904769 0.79 PDE10A (0.48) CYSLTR1CYSLTR2CYP1A2GPBAR1LMNA
SCHEMBL4938792 0.79 CYSLTR1 (0.55) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL13334594 0.78 PDE10A (0.50) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL8906354 0.78 PDE10A (0.47) CYSLTR1CYSLTR2CYP1A2PDE10A

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 441 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US claimed
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO claimed
CN-101528718-A Modulators of glucocorticoid receptor and/or AP-1 and/or NF- κ B activity and uses thereof BRISTOL MYERS SQUIBB CO (US) 2009-09-09 CN claimed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US claimed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP claimed
US-20090082371-A1 Treatment of Viral Disease and Cancer With Nf-kappaB Inhibitors LU ZHIMIN 2009-03-26 US claimed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US claimed
EP-2001472-A2 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck and Co., Inc. (US) 2008-12-17 EP claimed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO claimed
WO-2007111864-A2 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2007-10-04 WO claimed
US-5231103-A Lipoxygenase inhibitors as antiinflammatory agents, antiasthma and cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1993-07-27 US claimed
US-5192771-A Lipoxygenase inhibitors as antiinflammatory agents BAYER AKTIENGESELLSCHAFT (DE) 1993-03-09 US claimed
US-5179106-A SUBSTITUTED N-(QUINOLIN-2-YL-METHOXY) BENZYL-SULPHONYLUREA LEUKOTRIENE SYNTHESIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1993-01-12 US claimed
US-5166161-A Antiallergens or antiinflammatory agents PFIZER INC. (US) 1992-11-24 US claimed
US-5126354-A LEUKOTRIENE SYNTHESIS-INHIBITING DISUBSTITUTED (QUINOLIN-2-YL-METHOXY) PHENYLACETIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US claimed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US claimed
US-5045547-A Leukotriene-inhibiting substituted (quinolin-2-yl-methoxy)phenyl-N,N'-sulphonylureas and use thereas BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US claimed
EP-0414076-A1 Cyclic substituted (quinoline-2-yl-methoxy)phenylacetic acid derivatives BAYER AG (DE) 1991-02-27 EP claimed
CN-1045778-A (quinolin-2-ylmethoxy) phenyl-N that replaces, N '-sulfonylurea, its preparation method and the application in medicine thereof BAYER AG (DE) 1990-10-03 CN claimed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US claimed

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-20090082371-A1 Treatment of Viral Disease and Cancer With Nf-kappaB Inhibitors RELA, NFKBIA, NFKB1 CYSLTR1 3021/4885CYSLTR2 3514/4885CYP1A2 1668/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 CYSLTR1 530/4885CYSLTR2 306/4885CYP1A2 1996/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 CYSLTR1 385/4885CYSLTR2 712/4885CYP1A2 1055/4885

“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.