SCHEMBL10165206

SCHEMBL10165206

COc1ccc(C)n2nc(C3(C(=O)N(C)C)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.48
PDE4D Q08499 10/20 0.47
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL10165149 0.87 PDE4A (0.48) PDE4APDE4D
SCHEMBL10165203 0.86 PDE4D (0.60) PDE4APDE4D
SCHEMBL7925725 0.76 PDE4A (0.49) PDE4APDE4D
SCHEMBL17571377 0.75 PDE4A (0.60) PDE4APDE4DPDE10A
SCHEMBL17571398 0.73 PDE4D (0.48) PDE4APDE4D
SCHEMBL15060189 0.73 PDE4D (0.59) PDE4APDE4D
SCHEMBL508221 0.73 PDE4D (0.59) PDE4APDE4D
SCHEMBL3469402 0.72 PDE4A (0.58) PDE4APDE4D
SCHEMBL15071014 0.72 PDE4D (0.56) PDE4APDE4D
SCHEMBL15060224 0.72 PDE4D (0.60) 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-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

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 PDE4A 1/4885PDE4D 5/4885PDE10A 28/4885

“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.