SCHEMBL9606824

SCHEMBL9606824

CCC(C)c1cnc(C(C)C)c2c1COC2=O

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.31
NUAK1 O60285 1/20 0.30
IGF1R P08069 1/20 0.30
MET P08581 1/20 0.30
PIM1 P11309 1/20 0.30
SRC P12931 1/20 0.30
AXL P30530 1/20 0.30
AKT1 P31749 1/20 0.30
KDR P35968 1/20 0.30
NEK2 P51955 1/20 0.30
PLK1 P53350 1/20 0.30
PTK2 Q05397 1/20 0.30
PKN1 Q16512 1/20 0.30
AURKB Q96GD4 1/20 0.30
NEK6 Q9HC98 1/20 0.30
ALK Q9UM73 1/20 0.30
TSHR P16473 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 0.86 NUAK1 (0.34) CAPN1NUAK1IGF1RMETPIM1
SCHEMBL9604655 0.77 NUAK1 (0.34) CAPN1NUAK1IGF1RMETPIM1
SCHEMBL9606821 0.74 NUAK1 (0.35) NUAK1IGF1RMETPIM1SRC
SCHEMBL9604658 0.70 NUAK1 (0.38) NUAK1IGF1RMETPIM1SRC
SCHEMBL20930868 0.67 KCNJ1 (0.38) NUAK1IGF1RMETPIM1SRC
SCHEMBL9604657 0.66 NUAK1 (0.38) NUAK1IGF1RMETPIM1SRC
SCHEMBL20930883 0.66 TSHR (0.47) CAPN1TSHR
SCHEMBL12847433 0.64 TSHR (0.44) CAPN1TSHR
SCHEMBL25463387 0.63 TSHR (0.38) TSHR
SCHEMBL18595099 0.63 TSHR (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 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-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP CAPN1 261/4885NUAK1 2421/4885IGF1R 2235/4885

“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.