SCHEMBL3129223

SCHEMBL3129223

CC(C)Oc1cc(NCc2cncnc2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.40
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
NTRK1 P04629 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 3/20 0.35
GRM4 Q14833 1/20 0.34
CIT O14578 1/20 0.34
GAK O14976 1/20 0.34
PRKX P51817 1/20 0.34
PRKCQ Q04759 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HASPIN Q8TF76 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL3131107 0.87 ALDH1A1 (0.45) MEN1MAPTKMT2A
SCHEMBL3129616 0.86 MAPT (0.43) PDE4BCYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3123550 0.85 F2 (0.42) CYP2C9CYP2C19CYP1A2CYP2D6MEN1
SCHEMBL3120566 0.81 PDE4A (0.45) PDE4BCYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3131398 0.81 KLK1 (0.44) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL3207727 0.81 CYP2C19 (0.39) PDE4BCYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3133700 0.80 PDE4B (0.50) PDE4BPDE4A
SCHEMBL3132090 0.80 GAA (0.39) PDE4BCYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3132091 0.80 AAK1 (0.42) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL3132959 0.80 MAPT (0.59) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6

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 PDE4B 2/4885CYP2C9 310/4885CYP2C19 241/4885

“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.