SCHEMBL1608169

SCHEMBL1608169

CCOC(=O)CCSc1cnc(NC(=O)c2cn(CC3CC3)c3cc(F)ccc23)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.41
CCNE1 P24864 5/20 0.40
CDK2 P24941 5/20 0.40
CCNE2 O96020 4/20 0.40
CDK1 P06493 3/20 0.40
CDK4 P11802 3/20 0.40
CCNB2 O95067 2/20 0.40
CCNB1 P14635 2/20 0.40
CCND1 P24385 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
HRH2 P25021 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CNR2 P34972 3/20 0.34
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
MAP3K5 Q99683 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2655623 0.97 CNR1 (0.39) CNR1CCNE1CDK2CCNE2CDK1
SCHEMBL1607574 0.92 CCNE1 (0.41) CNR1CCNE1CDK2CCNE2CDK1
SCHEMBL1607212 0.91 CNR1 (0.43) CNR1CCNE1CDK2CCNE2CDK1
SCHEMBL1608157 0.89 CNR1 (0.40) CNR1CCNE1CDK2CCNE2HRH2
SCHEMBL2666213 0.84 CNR1 (0.41) CNR1CCNE1CDK2CCNE2CDK1
SCHEMBL1607228 0.83 CCNB2 (0.47) CNR1CCNE1CDK2CCNE2CDK1
SCHEMBL1607366 0.83 CNR1 (0.43) CNR1CCNE1CDK2CCNE2PDE4A
SCHEMBL1607052 0.80 CNR1 (0.41) CNR1HRH2CNR2METAXL
SCHEMBL1607343 0.79 CNR1 (0.44) CNR1CCNE1CDK2CCNE2CDK4
SCHEMBL1606778 0.79 CNR1 (0.44) CNR1CCNE1CDK2HRH2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 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

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-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK CNR1 616/4885CCNE1 964/4885CDK2 138/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 CNR1 568/4885CCNE1 2507/4885CDK2 452/4885

“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.