SCHEMBL509745

SCHEMBL509745

COc1ccc(I)n2nc(C(NC(=O)OC3CCCC3)C3CC3)nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.36
BRD4 O60885 3/20 0.36
AAK1 Q2M2I8 1/20 0.35
PDE4D Q08499 8/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.33
CACNA1B Q00975 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL508513 0.82 PSEN1 (0.37) SMPD3BRD4AAK1MAPTHTT
SCHEMBL509372 0.80 PDE4D (0.55) PDE4D
SCHEMBL509744 0.74 PDE4D (0.43) BRD4PDE4D
SCHEMBL509400 0.65 PDE4A (0.61) PDE4D
SCHEMBL7930217 0.65 PDE10A (0.32) PDE4DMAPT
SCHEMBL510043 0.65 PDE4D (0.58) PDE4D
SCHEMBL508443 0.64 PDE4D (0.64) PDE4D
SCHEMBL17571398 0.61 PDE4D (0.48) PDE4D
SCHEMBL508221 0.61 PDE4D (0.59) PDE4D
SCHEMBL3469402 0.61 PDE4A (0.58) PDE4D

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 SMPD3 31/4885BRD4 420/4885AAK1 2653/4885

“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.