SCHEMBL5757916

SCHEMBL5757916

Cc1ccc(C(=O)NCC2CC2)c(=O)n1-c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
USP30 Q70CQ3 2/20 0.44
MAPK14 Q16539 1/20 0.44
ELANE P08246 1/20 0.44
CNR2 P34972 2/20 0.42
F10 P00742 1/20 0.42
RIPK1 Q13546 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CHRM1 P11229 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KDM1A O60341 1/20 0.39
HTR4 Q13639 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL5755397 0.95 NOTUM (0.44) NOTUMUSP30MAPK14ELANECNR2
SCHEMBL5756352 0.85 DRD2 (0.48) DRD2DRD3
SCHEMBL5757087 0.84 NOTUM (0.40) NOTUMUSP30MAPK14ELANECNR2
SCHEMBL5759586 0.82 ELANE (0.63) NOTUMMAPK14ELANECNR2RIPK1
SCHEMBL5757705 0.82 ELANE (0.55) NOTUMELANECNR2KLKB1KLK1
SCHEMBL5759176 0.82 ELANE (0.56) NOTUMMAPK14ELANECNR2
SCHEMBL5756911 0.82 ELANE (0.57) NOTUMELANEKLKB1KLK1
SCHEMBL5756864 0.81 EGLN1 (0.47) NOTUMELANECHRM1EGLN1
SCHEMBL5759285 0.81 ELANE (0.46) NOTUMELANEKLKB1KLK1
SCHEMBL5758147 0.81 HPGD (0.47) NOTUMELANEDRD2DRD3KLKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 US disclosed
CN-1711243-A 2-pyridone derivatives as inhibitors of neutrophil elastase ASTRAZENECA AB (SE) 2005-12-21 CN 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 NOTUM 3748/4885USP30 3185/4885MAPK14 2866/4885

“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.