Sugi Predict

Sugi Predict / Compounds / SCHEMBL2649708

SCHEMBL2649708

SCHEMBL2649708

O=C(O)CSc1cnc(NC(=O)N(C2CCCCC2)C2CCN(C(=O)N3CCOCC3)CC2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CDK2 P24941 8/20 0.37
▸ CCNE2 O96020 5/20 0.37
▸ CCNE1 P24864 5/20 0.37
▸ CCNB2 O95067 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ CCNB3 Q8WWL7 2/20 0.37
▸ CDK7 P50613 3/20 0.35
▸ CDK9 P50750 3/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL2648187 0.91 ITK (0.38) ITKALDH1A1MAPTMAPK1CDK2
SCHEMBL999641 0.91 ALDH1A1 (0.39) ITKALDH1A1CDK2CCNE2CCNE1
SCHEMBL999640 0.91 ALDH1A1 (0.39) ITKALDH1A1CDK2CCNE2CCNE1
SCHEMBL998589 0.89 CDK2 (0.41) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL1000522 0.88 PKM (0.42) ITKALDH1A1MAPTMAPK1CDK2
SCHEMBL1000598 0.87 MAPT (0.50) ITKALDH1A1MAPTMAPK1CDK2
SCHEMBL1000427 0.87 MAPT (0.50) ITKALDH1A1MAPTMAPK1CDK2
SCHEMBL999233 0.87 CCNE1 (0.43) ALDH1A1CDK2CCNE2CCNE1CCNB2
SCHEMBL1000176 0.87 CCNE1 (0.43) ALDH1A1CDK2CCNE2CCNE1CCNB2
SCHEMBL999286 0.87 CCNE1 (0.43) ALDH1A1CDK2CCNE2CCNE1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 — — US disclosed
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 — — US disclosed
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 — — US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 — — US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 — — US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 — — US disclosed
EP-1904466-A1 DICYCLOALKYL 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 ITK 570/4885ALDH1A1 3782/4885MAPT 2197/4885

“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.