SCHEMBL5956686

SCHEMBL5956686

Cc1cc2c(cc1C(=O)Nc1ccnc3c1cnn3C(c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)CC[C@@H]2NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
IRAK4 Q9NWZ3 8/20 0.33
NTRK1 P04629 1/20 0.32
KIT P10721 1/20 0.32
HDAC1 Q13547 2/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ADA P00813 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR3C1 P04150 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 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
SCHEMBL5956688 0.93 IRAK4 (0.36) MAPK1IRAK4NR3C1
SCHEMBL5956485 0.90 HDAC1 (0.34) MAPK1IRAK4NTRK1KITHDAC1
SCHEMBL5956712 0.87 PIM1 (0.32) IRAK4TP53ADARXFP1NR3C1
SCHEMBL5956649 0.86 IRAK4 (0.33) MAPK1IRAK4KITHDAC1TP53
SCHEMBL5956657 0.86 IRAK4 (0.33) MAPK1IRAK4KITHDAC1TP53
SCHEMBL5956508 0.79 HDAC1 (0.36) IRAK4NTRK1HDAC1ADA
SCHEMBL5956499 0.79 HDAC1 (0.36) IRAK4NTRK1HDAC1ADA
SCHEMBL5956759 0.79 IRAK4 (0.37) IRAK4NR3C1
SCHEMBL5956769 0.79 IRAK4 (0.37) IRAK4NR3C1
SCHEMBL5956668 0.76 NAMPT (0.38) MAPK1

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 MAPK1 128/4885IRAK4 2712/4885NTRK1 1186/4885

“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.