SCHEMBL688576

SCHEMBL688576

CCOC(=O)CSc1cnc(N)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.64
CCNE2 O96020 2/20 0.64
CDK1 P06493 2/20 0.64
CDK4 P11802 2/20 0.64
CCNB1 P14635 2/20 0.64
CCND1 P24385 2/20 0.64
CCNE1 P24864 2/20 0.64
CDK2 P24941 2/20 0.64
CCNB3 Q8WWL7 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 8/20 0.57
TSHR P16473 1/20 0.48
HPGD P15428 3/20 0.47
MAPT P10636 1/20 0.47
SHMT2 P34897 1/20 0.47
LMNA P02545 2/20 0.47
MAP3K8 P41279 1/20 0.45
ABCB1 P08183 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45

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
SCHEMBL2481820 0.92 CCNB2 (0.56) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL999731 0.86 SMN1; SMN2 (0.56) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2656865 0.85 CDK2 (0.49) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL16086613 0.83 SMN1; SMN2 (0.53) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2650788 0.79 SMN1; SMN2 (0.48) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL735616 0.78 SMN1; SMN2 (0.47) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2606389 0.78 MYC (0.44) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL997925 0.77 ALDH1A1 (0.61) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL19018619 0.76 HSP90AB1 (0.44) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1241542 0.75 SMN1; SMN2 (0.50) CDK1CDK4CCNE1CDK2SMN1; SMN2

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 81 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
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
EP-2099777-B1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2015-08-12 EP disclosed
EP-2099777-B1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2015-08-12 EP disclosed
US-8921576-B2 Spiroindoline compound, and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-12-30 US disclosed
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD (JP) 2014-10-16 US disclosed
US-RE45183-E1 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2014-10-07 US disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
WO-2007006761-A1 DICYCLOALKYLCARBAMOYL UREAS AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO 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
EP-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
EP-1689392-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2006058923-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-06-08 WO disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 WO disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 WO disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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 CCNB2 3579/4885CCNE2 3696/4885CDK1 1282/4885
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK CCNB2 1737/4885CCNE2 1579/4885CDK1 908/4885
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME GCKR, GCK, GALK1 CCNB2 3121/4885CCNE2 1668/4885CDK1 872/4885

“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.