SCHEMBL509403

SCHEMBL509403

COc1cccn2nc(C3(CNC(=O)N4CCCC4)CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE4A P27815 7/20 0.40
ALDH1A1 P00352 3/20 0.39
PDE4D Q08499 4/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL509295 0.85 PDE4D (0.43) PDE4APDE4D
SCHEMBL508336 0.83 PDE4A (0.44) PKMMAPK1PDE4APDE4DL3MBTL1
SCHEMBL508512 0.82 KCNA3 (0.43) PDE4DBRD4
SCHEMBL509404 0.78 PDE4D (0.53) PDE4APDE4D
SCHEMBL509408 0.77 JAK2 (0.45) PDE4APDE4D
SCHEMBL509134 0.77 PDE4D (0.71) PDE4D
SCHEMBL15071067 0.74 PDE4D (0.52) PDE4APDE4D
SCHEMBL16339826 0.72 PDE4D (0.54) PDE4APDE4D
SCHEMBL3469602 0.72 PDE4A (0.52) PDE4APDE4D
SCHEMBL508584 0.70 PDE4D (0.55) PDE4APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028974-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2012-02-02 US disclosed
EP-2379548-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2011-10-26 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-20120028974-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES PDE4A, PDE4B, PDE5A PKM 1217/4885MAPK1 840/4885PDE4A 1/4885

“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.