SCHEMBL509744

SCHEMBL509744

COc1ccc(I)n2nc(C3(CNC(=O)OC4CCCC4)CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.43
PDE4A P27815 8/20 0.42
BRD4 O60885 1/20 0.40
KCNA3 P22001 3/20 0.39

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
SCHEMBL508512 0.85 KCNA3 (0.43) PDE4DBRD4KCNA3
SCHEMBL509081 0.82 PDE4D (0.47) PDE4DPDE4A
SCHEMBL509371 0.80 PDE4D (0.68) PDE4D
SCHEMBL510059 0.76 PDE4A (0.59) PDE4DPDE4A
SCHEMBL509745 0.74 SMPD3 (0.36) PDE4DBRD4
SCHEMBL508221 0.71 PDE4D (0.59) PDE4DPDE4A
SCHEMBL17571398 0.71 PDE4D (0.48) PDE4DPDE4A
SCHEMBL509401 0.71 PDE4A (0.64) PDE4DPDE4A
SCHEMBL509400 0.70 PDE4A (0.61) PDE4DPDE4A
SCHEMBL3469402 0.70 PDE4A (0.58) PDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379548-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-8952162-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2015-02-10 US disclosed
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
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 WO 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 PDE4D 5/4885PDE4A 1/4885BRD4 420/4885

“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.