SCHEMBL737377

SCHEMBL737377

CCOC(=O)C(C)(C)Sc1cnc(N)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.43
CDK2 P24941 3/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CCNE1 P24864 2/20 0.39
PPOX P50336 4/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 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
SCHEMBL735616 0.81 SMN1; SMN2 (0.47) SMN1; SMN2CDK2ALDH1A1HPGDCDK1
SCHEMBL2667255 0.79 PPARA (0.49) SMN1; SMN2CDK2SLC22A12MYCWDR5
SCHEMBL688576 0.74 CCNB2 (0.64) SMN1; SMN2CDK2ALDH1A1HPGDCDK1
SCHEMBL972840 0.73 TP53 (0.41) TP53CDK2ALDH1A1CDK1CDK4
SCHEMBL1241542 0.73 SMN1; SMN2 (0.50) SMN1; SMN2TP53CDK2ALDH1A1CDK1
SCHEMBL999731 0.72 SMN1; SMN2 (0.56) SMN1; SMN2CDK2ALDH1A1HPGDCDK1
SCHEMBL16086702 0.72 SMN1; SMN2 (0.49) SMN1; SMN2TP53CDK2ALDH1A1CDK1
SCHEMBL28856512 0.71 PPARA (0.41) SMN1; SMN2TP53ALDH1A1PPOXSLC22A12
SCHEMBL2650788 0.71 SMN1; SMN2 (0.48) SMN1; SMN2CDK2ALDH1A1CDK1CDK4
SCHEMBL16086613 0.70 SMN1; SMN2 (0.53) SMN1; SMN2CDK2ALDH1A1HPGDCDK1

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-2931718-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2019-01-16 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-9527838-B2 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-12-27 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-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-20150336946-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
EP-2931718-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2015-10-21 EP disclosed
EP-2099777-B1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2015-08-12 EP disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO disclosed
WO-2008084043-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO disclosed
WO-2008084043-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO disclosed
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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-20150336946-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT GCK, HK2, GCKR SMN1; SMN2 3803/4885TP53 4627/4885CDK2 315/4885
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 SMN1; SMN2 4814/4885TP53 2740/4885CDK2 253/4885
US-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 SMN1; SMN2 2536/4885TP53 3730/4885CDK2 268/4885

“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.