SCHEMBL1107410

SCHEMBL1107410

CCOP(=O)(Cc1cnc(N)s1)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.37
NOS1 P29475 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL1107406 0.82 MAPT (0.39) SMN1; SMN2TSHRMAPTALDH1A1HTT
SCHEMBL15825675 0.82 TSHR (0.36) SMN1; SMN2TSHRMAPTHTTCCNT1
SCHEMBL9891666 0.82 SMN1; SMN2 (0.49) SMN1; SMN2POLBTSHRMAPTALDH1A1
SCHEMBL27401382 0.77 MAPT (0.33) SMN1; SMN2TSHRMAPTHTTKDM4E
SCHEMBL15825687 0.77 TSHR (0.36) SMN1; SMN2TSHRMAPTHTTCCNT1
SCHEMBL17273537 0.74 SMN1; SMN2 (0.46) SMN1; SMN2POLBTSHRMAPTALDH1A1
SCHEMBL1107411 0.73 SMN1; SMN2 (0.43) SMN1; SMN2POLBTSHRMAPTALDH1A1
SCHEMBL7756369 0.73 MAPT (0.40) POLBTSHRMAPTHTTCCNT1
SCHEMBL232903 0.70
SCHEMBL8543145 0.70 TSHR (0.38) SMN1; SMN2TSHRMAPTHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931734-B1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-2931718-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2019-01-16 EP disclosed
US-9527838-B2 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527838-B2 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9453038-B2 Glucokinase activator compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-09-27 US disclosed
US-9453038-B2 Glucokinase activator compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-09-27 US disclosed
US-9453038-B2 Glucokinase activator compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-09-27 US disclosed
EP-2558461-B1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL MYERS SQUIBB CO (US) 2015-12-02 EP disclosed
US-20150336946-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150336946-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
WO-2014099578-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US 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 (4 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-20150336946-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT GCK, HK2, GCKR SMN1; SMN2 3803/4885POLB 3701/4885TSHR 3139/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4710/4885POLB 2875/4885TSHR 841/4885
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 SMN1; SMN2 3671/4885POLB 3606/4885TSHR 1075/4885
US-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT GCK, GCKR, HK2 SMN1; SMN2 3353/4885POLB 2895/4885TSHR 3524/4885

“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.