SCHEMBL5956587

SCHEMBL5956587

O=C(N[C@H]1CCOc2cc(C(=O)NSc3ccnc4[nH]ccc34)ccc21)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.43
JAK1 P23458 8/20 0.43
TYK2 P29597 6/20 0.43
JAK3 P52333 4/20 0.38
BTK Q06187 2/20 0.35
ROCK2 O75116 2/20 0.34
TBXA2R P21731 1/20 0.34
ACHE P22303 1/20 0.34
GSK3B P49841 1/20 0.34
NAAA Q02083 1/20 0.34
ROCK1 Q13464 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL5956630 0.84 TBXA2R (0.34) JAK2JAK1TYK2ROCK2TBXA2R
SCHEMBL5956732 0.82 ROCK2 (0.40) ROCK2TBXA2RACHENAAAROCK1
SCHEMBL2855651 0.80 PRKCI (0.36) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL4442286 0.80 PRKCI (0.36) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL5956731 0.80 DGAT1 (0.33) JAK2JAK1TYK2ROCK2TBXA2R
SCHEMBL5956854 0.77 TBXA2R (0.48) TBXA2RACHENAAA
SCHEMBL5956646 0.76 POLB (0.51) ROCK2
SCHEMBL5956589 0.75 JAK2 (0.45) JAK2JAK1TYK2JAK3BTK
SCHEMBL5956584 0.75 JAK2 (0.45) JAK2JAK1TYK2JAK3BTK
SCHEMBL5956658 0.74 ALDH1A1 (0.44) ACHE

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 585/4885JAK1 490/4885TYK2 354/4885

“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.