SCHEMBL2656005

SCHEMBL2656005

COc1ccc(CCCCN(C(=O)Nc2ncc(SCC(=O)O)s2)[C@H]2CC[C@H](C)CC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CDK2 P24941 3/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
GLS O94925 1/20 0.36
ITK Q08881 1/20 0.36
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
GCK P35557 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
SCHEMBL2656007 1.00 KMT2A (0.42) KMT2ACDK2KDRALDH1A1LMNA
SCHEMBL1241648 0.95 KMT2A (0.44) KMT2ACDK2KDRALDH1A1LMNA
SCHEMBL2658227 0.90 GCK (0.41) CDK2ALDH1A1LMNAMAPTGLS
SCHEMBL2669461 0.90 GCK (0.41) CDK2ALDH1A1LMNAMAPTGLS
SCHEMBL1238582 0.89 STK17B (0.39) KMT2ACDK2KDRITKCCNE2
SCHEMBL2657215 0.88 KMT2A (0.41) KMT2ACDK2KDRALDH1A1LMNA
SCHEMBL2657217 0.88 KMT2A (0.41) KMT2ACDK2KDRALDH1A1LMNA
SCHEMBL2669507 0.88 KMT2A (0.41) KMT2ACDK2KDRALDH1A1LMNA
SCHEMBL2659429 0.88 GCK (0.42) CDK2ALDH1A1LMNAMAPTITK
SCHEMBL10154343 0.88 GCK (0.42) CDK2ALDH1A1LMNAMAPTITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US claimed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP claimed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO claimed
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
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 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 (2 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-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 KMT2A 2713/4885CDK2 381/4885KDR 3120/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 KMT2A 2713/4885CDK2 381/4885KDR 3120/4885

“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.