SCHEMBL3134173

SCHEMBL3134173

CC(C)(C)OC(=O)N1CCc2cnc(C(F)(F)F)nc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
PLK1 P53350 1/20 0.34
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
BUB1 O43683 1/20 0.34
ESR2 Q92731 1/20 0.34
JUN P05412 3/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
FOS P01100 2/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
NR1H2 P55055 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PIK3CD O00329 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
SCHEMBL3133143 0.83 CYP11B2 (0.36) JUNNFKB1NFKB2RELAFOS
SCHEMBL31006889 0.78 GPR119 (0.39) MAPTCCNA2CDK2CKS1BSKP1
SCHEMBL3133107 0.75 MAPT (0.52) MAPTCCNA2CDK2CKS1BSKP1
SCHEMBL4870556 0.73 MAPT (0.63) MAPTCCNA2CDK2ESR2NR1H2
SCHEMBL3133058 0.71 HDAC4 (0.35) MAPTBUB1JUNNFKB1NFKB2
SCHEMBL3873146 0.71 DDB1 (0.51) MAPTCCNA2CDK2CKS1BSKP1
SCHEMBL27458692 0.70 MAPT (0.41) MAPTCCNA2CDK2CKS1BSKP1
SCHEMBL9998057 0.70 MEN1 (0.39) MAPTPLK1BUB1PIM1PIM2
SCHEMBL30954006 0.69 NR1H2 (0.41) MAPTESR2NR1H2PIK3CDPIK3CA
SCHEMBL27458695 0.69 MAPT (0.42) MAPTCCNA2CDK2CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 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 (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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 MAPT 3004/4885CCNA2 4278/4885CDK2 970/4885

“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.