SCHEMBL7913183

SCHEMBL7913183

CCNC(=O)Nc1ccc(Cc2ccc(OC)c(-c3cccc(N)c3)c2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.41
YES1 P07947 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
AURKB Q96GD4 1/20 0.41
PIK3CA P42336 4/20 0.41
MAPK8 P45983 3/20 0.41
MAPK9 P45984 3/20 0.41
MAPK10 P53779 3/20 0.41
ABL1 P00519 1/20 0.40
PDE4A P27815 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
SCHEMBL8031130 0.90 MAPK1 (0.42) MAPK1YES1HIPK1AURKBPIK3CA
SCHEMBL7913034 0.89 MAPK1 (0.42) MAPK1YES1HIPK1AURKBPIK3CA
SCHEMBL8055903 0.88 MAPK1 (0.44) MAPK1YES1HIPK1AURKBPIK3CA
SCHEMBL13578431 0.88 MAPK1 (0.40) MAPK1YES1HIPK1AURKBPIK3CA
Hydrochloric Acid SCHEMBL3792884 0.87 MAPK1 (0.43) MAPK1YES1HIPK1AURKBPIK3CA
SCHEMBL3808371 0.85 MAPK1 (0.38) MAPK1YES1HIPK1AURKBPIK3CA
SCHEMBL8070542 0.84 MET (0.45) MAPK1YES1HIPK1AURKBPIK3CA
SCHEMBL8072151 0.82 CD274 (0.37) MAPK1ABL1
SCHEMBL11996275 0.82 PDE4D (0.40) MAPK1
SCHEMBL4323934 0.82 CYP1A2 (0.45) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B MAPK1 1494/4885YES1 2816/4885HIPK1 1710/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B MAPK1 1494/4885YES1 2816/4885HIPK1 1710/4885

“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.