SCHEMBL3470072

SCHEMBL3470072

COc1ccc(Cc2nnn[nH]2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.38
PDE4D Q08499 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK10 P53779 3/20 0.35
IKBKE Q14164 1/20 0.34
NOTUM Q6P988 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK14 Q16539 1/20 0.34
APLNR P35414 2/20 0.33
HTR7 P34969 1/20 0.33
CTSA P10619 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
SCHEMBL3469344 0.81 PDE4B (0.36) PDE4BPDE4DCTSA
SCHEMBL11996287 0.81 PTGS2 (0.42) PDE4BPDE4D
SCHEMBL8028035 0.78 TAAR1 (0.43) PDE4BPDE4DNPC1MAPTTSHR
SCHEMBL8024594 0.77 PDE4B (0.42) PDE4BPDE4DNPC1MAPTTSHR
SCHEMBL3467045 0.77 PDE4B (0.42) PDE4BPDE4DNPC1MAPTTSHR
SCHEMBL8032267 0.77 TSHR (0.40) PDE4BPDE4DNPC1MAPTTSHR
SCHEMBL3466371 0.77 PDE4B (0.42) PDE4BPDE4DNPC1MAPTTSHR
SCHEMBL4326850 0.77 TAAR1 (0.47) PDE4BPDE4DNPC1MAPTTSHR
SCHEMBL3470558 0.76 ALDH1A1 (0.49) PDE4BPDE4D
SCHEMBL7911734 0.76 PDE4D (0.44) PDE4BPDE4DMAPT

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 PDE4B 2/4885PDE4D 7/4885ADORA2A 456/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 7/4885ADORA2A 456/4885

“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.