SCHEMBL7913028

SCHEMBL7913028

CNc1ccc(Cc2ccc(OC)c(-c3cccc(C(C)=O)c3)c2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
PTGDR Q13258 1/20 0.38
CTSA P10619 3/20 0.37
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
NPC1 O15118 1/20 0.36
MAOB P27338 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL7914041 0.93 FYN (0.40) FYNFLT1FLT4KDRITGB1
SCHEMBL7905713 0.92 FLT1 (0.41) FYNFLT1FLT4KDRITGB1
SCHEMBL7913034 0.89 MAPK1 (0.42)
SCHEMBL3466193 0.88 FYN (0.40) FYNFLT1FLT4KDRCTSA
SCHEMBL3789411 0.88 FYN (0.41) FYNFLT1FLT4KDRCTSA
SCHEMBL3809007 0.87 ALDH1A1 (0.39) FYNFLT1FLT4KDRCTSA
SCHEMBL3467003 0.87 CTSA (0.41) FYNFLT1FLT4KDRCTSA
SCHEMBL3793584 0.86 CYP1A2 (0.38) FYNPTGDRALDH1A1NPC1
SCHEMBL3794094 0.86 GRM2 (0.41) FYNFLT1FLT4KDRCTSA
SCHEMBL4530605 0.85 FYN (0.41) FYNFLT1FLT4KDRCTSA

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 3 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
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

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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FYN 1027/4885FLT1 1180/4885FLT4 303/4885

“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.