SCHEMBL2948705

SCHEMBL2948705

CC(O)Cn1c[c]c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ASH1L Q9NR48 1/20 0.36
BACE1 P56817 2/20 0.34
APAF1 O14727 1/20 0.32
DNM1 Q05193 2/20 0.32
LMNA P02545 1/20 0.31
KAT2B Q92831 1/20 0.31
TSHR P16473 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
AGER Q15109 1/20 0.30

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
SCHEMBL6227403 0.86 L3MBTL1 (0.34) KDM4EAPAF1LMNATSHRALDH1A1
SCHEMBL6015707 0.80 DNM1 (0.54) DNM1TSHRNPY1RNPY2RPER2
SCHEMBL11171140 0.76 TSHR (0.39) TSHRALDH1A1MAPT
SCHEMBL9581979 0.76
SCHEMBL5497340 0.76 ALDH1A1 (0.34) KDM4ELMNAALDH1A1MAPT
SCHEMBL6236614 0.73 SLC9A1 (0.37) KDM4ELMNATSHRALDH1A1MAPT
SCHEMBL17956270 0.72 CDK4 (0.33) BACE1
SCHEMBL2948314 0.71 KDM4E (0.38) KDM4ELMNATSHRALDH1A1MAPT
SCHEMBL6230861 0.71
SCHEMBL3088022 0.71 ALOX5AP (0.40) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125683-B1 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS UNIV ILLINOIS (US) 2013-10-23 EP disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-7855203-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS ZHANG HAN-CHENG 2010-09-23 US disclosed
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 US disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 US disclosed
EP-2125683-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS The Board of Trustees of the University of Illinois (US) 2009-12-02 EP disclosed
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-7439363-B2 Substituted indazoly(indoly)maleimide derivatives as kinase inhibitors JANSSEN PARMACEUTICA N.V. (BE) 2008-10-21 US disclosed
EP-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
WO-2003104222-A1 BISINDOLYL-MALEIMID DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-18 WO disclosed
WO-2003103663-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-18 WO disclosed
EP-1362047-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-11-19 EP disclosed
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-20 US disclosed
WO-2002046183-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed
US-RE36736-E Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 2000-06-13 US disclosed
EP-0328026-B1 SUBSTITUTED PYRROLES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP disclosed
US-5057614-A Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 1991-10-15 US disclosed
WO-1991013071-A1 NOVEL TRISUBSTITUTED PYRROLS, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-05 WO disclosed
EP-0328026-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1989-08-16 EP 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-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS PRKDC, MAP2K2, TTK KDM4E 1292/4885PTGS1 2458/4885PTGS2 2255/4885
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors GSK3B, GSK3A, GSKIP KDM4E 2569/4885PTGS1 3934/4885PTGS2 3643/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 KDM4E 1536/4885PTGS1 1371/4885PTGS2 1446/4885

“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.