SCHEMBL609052

SCHEMBL609052

CC1(C)OCC(c2cnc(N)cn2)O1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 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
SCHEMBL609051 1.00 IRAK4 (0.32) IRAK4PIK3R1PIK3CAMTORDRD2
SCHEMBL12200518 0.83 IRAK4 (0.31) IRAK4
SCHEMBL12200521 0.83 IRAK4 (0.31) IRAK4
SCHEMBL24696834 0.79
SCHEMBL14659437 0.79
SCHEMBL24696833 0.79
SCHEMBL30076895 0.79
SCHEMBL2658028 0.79 SIRT6 (0.40)
SCHEMBL24708390 0.77 NSD2 (0.31) IRAK4
SCHEMBL28668136 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8697705-B2 Isoindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-15 US disclosed
EP-2705033-A1 ISOINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-03-12 EP disclosed
US-20130296339-A1 ISOINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (US) 2013-11-07 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20130165452-A1 Substituted Heteroaryls PFIZER INC. (US) 2013-06-27 US disclosed
US-8470866-B2 Isoindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2008122511-A2 PROCESS FOR PREPARING 2-AMINO- [5-(1(S), 2-DIHYDROXYETHYL) OR - (KS) -HYDROXY-2-HALOETHYL) ] -PYRAZINE DERIVATIVES BY ENZYMATIC REDUCTION OF THE CORRESPONDING KETONES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
US-20080248537-A1 BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 US disclosed
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 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 (7 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-20080248537-A1 BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE GCK, HK2, GCKR IRAK4 3946/4885PIK3R1 2967/4885PIK3CA 2571/4885
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 IRAK4 2984/4885PIK3R1 2424/4885PIK3CA 701/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 IRAK4 3081/4885PIK3R1 3209/4885PIK3CA 857/4885
US-20130296339-A1 ISOINDOLINONE DERIVATIVES GCK, GCKR, PDK2 IRAK4 2936/4885PIK3R1 2797/4885PIK3CA 1240/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK IRAK4 3278/4885PIK3R1 2942/4885PIK3CA 1055/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 IRAK4 1916/4885PIK3R1 1739/4885PIK3CA 995/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN IRAK4 28/4885PIK3R1 108/4885PIK3CA 177/4885

“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.