SCHEMBL3469322

SCHEMBL3469322

CCOC(=O)CCNC(=O)Nc1nnc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
CFTR P13569 2/20 0.41
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 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
SCHEMBL3469371 0.96 GAA (0.42) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3471206 0.92 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3470597 0.91 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3809587 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3469510 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3470071 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3801916 0.86 CFTR (0.47) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL7916014 0.84 POLB (0.47) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL4329674 0.83 CFTR (0.51) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL13865488 0.80 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDHSD17B10

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-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 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 (2 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MEN1 3928/4885KMT2A 1930/4885ALDH1A1 149/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MEN1 3928/4885KMT2A 1930/4885ALDH1A1 149/4885

“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.