SCHEMBL999731

SCHEMBL999731

CCOC(=O)CCSc1cnc(N)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
CDK2 P24941 3/20 0.48
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
CCNE1 P24864 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 5/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.41
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL16086613 0.92 SMN1; SMN2 (0.53) SMN1; SMN2CDK2CDK1CDK4CCNE1
SCHEMBL688576 0.86 CCNB2 (0.64) SMN1; SMN2CDK2CDK1CDK4CCNE1
SCHEMBL16724105 0.86 SMN1; SMN2 (0.41) SMN1; SMN2CDK2CDK1CDK4CCNE1
SCHEMBL9072653 0.79 APEX1 (0.47) SMN1; SMN2CDK2CCNE1CCNE2ALDH1A1
SCHEMBL2481820 0.79 CCNB2 (0.56) SMN1; SMN2CDK2CDK1CDK4CCNE1
SCHEMBL999232 0.78 ALDH1A1 (0.53) SMN1; SMN2CDK2CDK1CDK4CCNE1
SCHEMBL2650788 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CDK2CDK1CDK4CCNE1
SCHEMBL735616 0.76 SMN1; SMN2 (0.47) SMN1; SMN2CDK2CDK1CDK4CCNE1
SCHEMBL16086477 0.75 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1KDM4ETDP1HPGD
SCHEMBL1024938 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2781521-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2014-09-24 EP disclosed
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
EP-1904467-B1 Urea glucokinase activators NOVO NORDISK AS (DK) 2013-05-01 EP disclosed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
EP-1824835-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-08-29 EP disclosed
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2007-03-08 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-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

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-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK SMN1; SMN2 4404/4885CDK2 138/4885CDK1 908/4885
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME GCKR, GCK, GALK1 SMN1; SMN2 3745/4885CDK2 552/4885CDK1 872/4885
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 SMN1; SMN2 3504/4885CDK2 319/4885CDK1 823/4885

“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.