SCHEMBL5956712

SCHEMBL5956712

Cc1c(C(=O)Nc2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc2c1S(=O)(=O)CC[C@@H]2NC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.32
AKT1 P31749 1/20 0.32
GSK3A P49840 1/20 0.32
PIM3 Q86V86 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ADA P00813 1/20 0.31
NR3C1 P04150 1/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 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
SCHEMBL5956686 0.87 MAPK1 (0.33) IRAK4RXFP1ADANR3C1CKS1B
SCHEMBL5956485 0.85 HDAC1 (0.34) IRAK4ADATRPV1
SCHEMBL5956688 0.85 IRAK4 (0.36) GSK3AIRAK4PDE5APDE4APDE1A
SCHEMBL5956649 0.80 IRAK4 (0.33) IRAK4RXFP1ADAJAK2JAK1
SCHEMBL5956657 0.80 IRAK4 (0.33) IRAK4RXFP1ADAJAK2JAK1
SCHEMBL5956499 0.78 HDAC1 (0.36) IRAK4ADA
SCHEMBL5956508 0.78 HDAC1 (0.36) IRAK4ADA
SCHEMBL5956769 0.78 IRAK4 (0.37) GSK3AIRAK4PDE5APDE4APDE1A
SCHEMBL5956759 0.78 IRAK4 (0.37) GSK3AIRAK4PDE5APDE4APDE1A
SCHEMBL5956598 0.75 JAK2 (0.37) PDE4APDE4BPDE4CPDE4DJAK2

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 PIM1 916/4885AKT1 14/4885GSK3A 774/4885

“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.