SCHEMBL5459404

SCHEMBL5459404

CN(CCc1cccnc1)C(=O)c1ccc(N2CCC(N(C(=O)O)C(C)(C)C)C2=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
ROCK2 O75116 3/20 0.40
TBXAS1 P24557 2/20 0.38
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ROCK1 Q13464 1/20 0.36
JAK1 P23458 2/20 0.35
MLYCD O95822 2/20 0.35
IGLV6-57 P01721 1/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
AVPR1B P47901 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.34
MAPK14 Q16539 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL5467839 0.84 F10 (0.39) F10KMT2A
SCHEMBL14429623 0.81 NAMPT (0.43) NAMPTROCK2TBXAS1PDK1PDK2
SCHEMBL5377795 0.77 F10 (0.44) RAB9AF10KMT2A
SCHEMBL5459180 0.73 F10 (0.72) F10
SCHEMBL5459186 0.73 F10 (0.72) F10
SCHEMBL4508161 0.72 F10 (0.35) F10
SCHEMBL5462955 0.72 F10 (0.59) F10
SCHEMBL5462952 0.72 F10 (0.59) F10
SCHEMBL5462945 0.72 F10 (0.59) F10
SCHEMBL5460889 0.72 F10 (0.59) F10

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-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-08-30 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-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors TFPI, F2, F12 NAMPT 614/4885ROCK2 2478/4885TBXAS1 447/4885

“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.