SCHEMBL5956657

SCHEMBL5956657

Cc1cc2c(cc1C(=O)Nc1ccnc3c1cnn3C(c1ccccc1)(c1ccccc1)c1ccccc1)SCCC2NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.33
POLB P06746 1/20 0.33
KIT P10721 1/20 0.32
MAPK1 P28482 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
ADA P00813 3/20 0.31
HDAC1 Q13547 1/20 0.31
PDE2A O00408 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5956649 1.00 IRAK4 (0.33) IRAK4POLBKITMAPK1JAK2
SCHEMBL5956759 0.92 IRAK4 (0.37) IRAK4POLBJAK2JAK1
SCHEMBL5956769 0.92 IRAK4 (0.37) IRAK4POLBJAK2JAK1
SCHEMBL5956508 0.90 HDAC1 (0.36) IRAK4POLBADAHDAC1MEN1
SCHEMBL5956499 0.90 HDAC1 (0.36) IRAK4POLBADAHDAC1MEN1
SCHEMBL5956686 0.86 MAPK1 (0.33) IRAK4KITMAPK1ADAHDAC1
SCHEMBL5956712 0.80 PIM1 (0.32) IRAK4JAK2JAK1ADARXFP1
SCHEMBL5956485 0.79 HDAC1 (0.34) IRAK4KITMAPK1ADAHDAC1
SCHEMBL5956688 0.79 IRAK4 (0.36) IRAK4MAPK1
SCHEMBL5956655 0.76 TRPV1 (0.34) MAPK1ADAMAPT

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 IRAK4 2712/4885POLB 3152/4885KIT 1844/4885

“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.