SCHEMBL13340967

SCHEMBL13340967

CC(C)c1ccc2c(c1)S(=O)(=O)C(C)(C)C(=O)N2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
NR1H3 Q13133 1/20 0.33
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RNASEH1 O60930 1/20 0.32
TYR P14679 1/20 0.31
BACE1 P56817 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 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
SCHEMBL13340958 0.84 NR1H3 (0.39) PDK1PDK2PDK3PDK4NR1H3
SCHEMBL16601584 0.84 ALDH1A1 (0.39) SLC9A1
SCHEMBL13961726 0.82 SLC9A1 (0.35) SLC9A1
SCHEMBL13340959 0.80 OPRK1 (0.34) PDK1PDK2PDK3PDK4NR1H3
SCHEMBL27300504 0.74 SLC6A4 (0.37) SLC9A1NR1H3HPGDGFERHSD17B10
SCHEMBL13340980 0.73 SLC9A1 (0.57) SLC9A1NR1H3HPGDGFERHSD17B10
SCHEMBL13340921 0.71 HPGD (0.38) SLC9A1NR1H3HPGDGFERHSD17B10
SCHEMBL19910573 0.68 SMN1; SMN2 (0.40) PDK1PDK2PDK3PDK4NR1H3
SCHEMBL13963913 0.66 BMPR1B (0.49) PDK1PDK2PDK3PDK4NR1H3
SCHEMBL16283452 0.65 CA2 (0.62) PDK1PDK2PDK3PDK4NR1H3

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
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ SLC9A1 1869/4885PDK1 80/4885PDK2 125/4885

“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.