SCHEMBL3132091

SCHEMBL3132091

CC(C)Oc1cc(NCc2cnco2)ccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.42
CIT O14578 1/20 0.42
GAK O14976 1/20 0.42
PRKX P51817 1/20 0.42
PRKCQ Q04759 1/20 0.42
HASPIN Q8TF76 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
BRD4 O60885 1/20 0.40
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
NAMPT P43490 9/20 0.34
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NTRK1 P04629 2/20 0.33
MEN1 O00255 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
SCHEMBL3121303 0.89 AAK1 (0.41) AAK1CITGAKPRKXPRKCQ
SCHEMBL3120371 0.89 AAK1 (0.41) AAK1CITGAKPRKXPRKCQ
SCHEMBL3131230 0.88 KDM4E (0.40) AAK1BRD4NAMPTMEN1ALDH1A1
SCHEMBL3130711 0.87 BRD4 (0.49) AAK1CITGAKPRKXPRKCQ
SCHEMBL3126185 0.86 BRD4 (0.48) AAK1CITGAKPRKXPRKCQ
SCHEMBL3126037 0.82 PDE4D (0.43) AAK1CITGAKPRKXPRKCQ
SCHEMBL3132205 0.81 PDE4B (0.48) PDE4A
SCHEMBL3207727 0.80 CYP2C19 (0.39) AAK1CITGAKPRKXPRKCQ
SCHEMBL3129223 0.80 PDE4B (0.40) AAK1CITGAKPRKXPRKCQ
SCHEMBL3132090 0.77 GAA (0.39) CYP2C19CYP2C9KCNH2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B AAK1 2805/4885CIT 285/4885GAK 2289/4885

“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.