SCHEMBL9604655

SCHEMBL9604655

CC(C)c1cnc(C(C)C)c2c1C(=O)OC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PIM1 P11309 1/20 0.34
SRC P12931 1/20 0.34
AXL P30530 1/20 0.34
AKT1 P31749 1/20 0.34
KDR P35968 1/20 0.34
NEK2 P51955 1/20 0.34
PLK1 P53350 1/20 0.34
PTK2 Q05397 1/20 0.34
PKN1 Q16512 1/20 0.34
AURKB Q96GD4 1/20 0.34
NEK6 Q9HC98 1/20 0.34
ALK Q9UM73 1/20 0.34
CAPN1 P07384 1/20 0.31
KCNJ1 P48048 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9604656 0.87 NUAK1 (0.34) NUAK1IGF1RMETPIM1SRC
SCHEMBL9606824 0.77 CAPN1 (0.31) NUAK1IGF1RMETPIM1SRC
SCHEMBL9604658 0.75 NUAK1 (0.38) NUAK1IGF1RMETPIM1SRC
SCHEMBL9604657 0.75 NUAK1 (0.38) NUAK1IGF1RMETPIM1SRC
SCHEMBL8737073 0.72 HSP90AA1 (0.35) PTK2KDM4EGAA
SCHEMBL9606822 0.71 MAOA (0.41) NUAK1IGF1RMETPIM1SRC
SCHEMBL19564471 0.70 KCNJ1 (0.44) KCNJ1
SCHEMBL14849268 0.68 NUAK1 (0.39) NUAK1IGF1RMETPIM1SRC
SCHEMBL20930868 0.66 KCNJ1 (0.38) NUAK1IGF1RMETPIM1SRC
SCHEMBL6124143 0.66 HTR2A (0.31)

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-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 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 (3 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-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP NUAK1 2421/4885IGF1R 2235/4885MET 4298/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP NUAK1 2421/4885IGF1R 2235/4885MET 4298/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NUAK1 1855/4885IGF1R 1087/4885MET 4083/4885

“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.