SCHEMBL6846578

SCHEMBL6846578

CC1CCc2cc(N)ccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
PDK1 Q15118 9/20 0.50
PDK2 Q15119 9/20 0.50
PDK3 Q15120 9/20 0.50
PDK4 Q16654 9/20 0.50
ALDH1A1 P00352 5/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSP90AA1 P07900 2/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL30228629 0.86 PDK1 (0.61) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL30228376 0.82 TSHR (0.54) PDK1PDK2PDK3PDK4TSHR
SCHEMBL27626911 0.79 NR1H2 (0.49) NR1H2
SCHEMBL28620097 0.78 NR1H2 (0.48) NR1H2
SCHEMBL30323614 0.78 NR1H2 (0.48) NR1H2
SCHEMBL13246586 0.77 NR1H2 (0.47) NR1H2ALDH1A1
SCHEMBL1058537 0.76 NR1H2 (0.62) NR1H2PDK1PDK2PDK3PDK4
SCHEMBL27612384 0.75 LMNA (0.44) ALDH1A1NPC1RAB9ATSHRLMNA
SCHEMBL25400962 0.75 NR1H2 (0.54) NR1H2PDK1PDK2PDK3PDK4
SCHEMBL6846584 0.74 NR1H2 (0.56) NR1H2PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NR1H2 1796/4885PDK1 358/4885PDK2 364/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NR1H2 1796/4885PDK1 358/4885PDK2 364/4885

“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.