SCHEMBL5407222

SCHEMBL5407222

COc1ccc(NC(=O)C(C)(C)C)c(C)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 1/20 0.44
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL25368134 0.84 L3MBTL1 (0.42) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL13482713 0.82 L3MBTL1 (0.43) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL1291381 0.79 PDK1 (0.46) PDK1PDK2PDK3PDK4LMNA
SCHEMBL29624959 0.79 PDK1 (0.46) PDK1PDK2PDK3PDK4LMNA
SCHEMBL28991028 0.77 KDM4E (0.46) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL1634759 0.77 MAPT (0.56) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL12293546 0.76 POLB (0.38) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL1291411 0.76 AR (0.51) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL18021884 0.76 LMNA (0.58) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL22208718 0.73 CFTR (0.45) PDK2PDK4KDM4ELMNATSHR

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA PDK1 2217/4885PDK2 3422/4885PDK3 3683/4885

“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.