SCHEMBL2926879

SCHEMBL2926879

COc1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MTNR1B P49286 7/20 0.38
MTNR1A P48039 6/20 0.38
FNTA P49354 1/20 0.37
PGGT1B P53609 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
CCR2 P41597 1/20 0.35
FABP4 P15090 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL29954668 0.85 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2878161 0.85 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL599783 0.84 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2873485 0.84 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL16249232 0.83 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL29955354 0.83 TRPV3 (0.50) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2790380 0.83 TRPV3 (0.50) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL759757 0.83 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL18445225 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL19013034 0.80 CHRM2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470540-B1 NOVEL FORMS OF A MULTICYCLIC COMPOUND CEPHALON INC (US) 2016-04-20 EP disclosed
EP-2791120-B1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-02-24 EP disclosed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US disclosed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 US disclosed
EP-2791120-A1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-10-22 EP disclosed
US-8633314-B2 Forms of a multicyclic compound CEPHALON, INC. (US) 2014-01-21 US disclosed
US-8633314-B2 Forms of a multicyclic compound CEPHALON, INC. (US) 2014-01-21 US disclosed
WO-2013087643-A1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-06-20 WO disclosed
US-20120214998-A1 Novel forms of a multicyclic compound CEPHALON, INC. (US) 2012-08-23 US disclosed
US-20120214998-A1 Novel forms of a multicyclic compound CEPHALON, INC. (US) 2012-08-23 US disclosed
WO-2011028580-A1 NOVEL FORMS OF A MULTICYCLIC COMPOUND CEPHALON, INC. (US) 2011-03-10 WO disclosed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 NR1H2 784/4885CHRM2 751/4885CHRM4 1649/4885
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof ALK, HRH3, HRH4 NR1H2 2088/4885CHRM2 135/4885CHRM4 498/4885
US-20120214998-A1 Novel forms of a multicyclic compound CYP11B2, CYP11B1, CYP11A1 NR1H2 390/4885CHRM2 2370/4885CHRM4 2801/4885

“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.