SCHEMBL5956598

SCHEMBL5956598

Cc1c(C(=O)Nc2ccncc2)ccc2c1S(=O)(=O)CC[C@@H]2NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.37
TYK2 P29597 4/20 0.36
CYP17A1 P05093 2/20 0.36
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
EPHX1 P07099 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK1 P23458 1/20 0.33
NT5E P21589 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL5956833 0.83 GAA (0.35) JAK2TYK2JAK1
SCHEMBL5956681 0.83 NAMPT (0.38) JAK2TYK2CYP17A1NAMPTSMN1; SMN2
SCHEMBL5956668 0.83 NAMPT (0.38) JAK2TYK2CYP17A1NAMPTSMN1; SMN2
SCHEMBL5956534 0.80 TYK2 (0.37) JAK2TYK2CYP17A1NAMPTSMN1; SMN2
SCHEMBL5956593 0.80 TYK2 (0.37) JAK2TYK2CYP17A1NAMPTSMN1; SMN2
SCHEMBL5956660 0.80 JAK2 (0.41) JAK2TYK2CYP17A1SMN1; SMN2MAPK1
SCHEMBL5956663 0.80 JAK2 (0.41) JAK2TYK2CYP17A1SMN1; SMN2MAPK1
SCHEMBL5956760 0.79 KCNMA1 (0.43) JAK2TYK2SMN1; SMN2MAPK1TDP1
SCHEMBL5956573 0.79 KCNMA1 (0.43) JAK2TYK2SMN1; SMN2MAPK1TDP1
SCHEMBL4448291 0.79 TYK2 (0.42) JAK2TYK2SMN1; SMN2JAK1NT5E

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 354/4885CYP17A1 1165/4885

“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.