SCHEMBL5956578

SCHEMBL5956578

CC(C)(C)OC(=O)N[C@H]1CCSc2cc(C(=O)Nc3ccncc3)c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.43
TYK2 P29597 7/20 0.43
JAK1 P23458 3/20 0.42
KCNMA1 Q12791 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL5956582 1.00 JAK2 (0.43) JAK2TYK2JAK1KCNMA1ROCK2
SCHEMBL5956665 0.90 NAMPT (0.39) JAK2TYK2KCNMA1SMN1; SMN2CYP17A1
SCHEMBL5956614 0.90 NAMPT (0.39) JAK2TYK2KCNMA1SMN1; SMN2CYP17A1
SCHEMBL5956481 0.88 KCNMA1 (0.44) JAK2TYK2KCNMA1CYP3A4MAPK1
SCHEMBL5956775 0.88 KCNMA1 (0.44) JAK2TYK2KCNMA1CYP3A4MAPK1
SCHEMBL5956667 0.84 NAMPT (0.43) CYP17A1MEN1KMT2ATDP1
SCHEMBL5956678 0.84 NAMPT (0.43) CYP17A1MEN1KMT2ATDP1
SCHEMBL5956617 0.82 NFKB1 (0.37) MEN1KMT2ATDP1
SCHEMBL5956623 0.82 NFKB1 (0.37) MEN1KMT2ATDP1
SCHEMBL5956660 0.82 JAK2 (0.41) JAK2TYK2JAK1KCNMA1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 JAK2 585/4885TYK2 354/4885JAK1 490/4885

“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.