SCHEMBL3207727

SCHEMBL3207727

CC(C)Oc1cc(NCc2cncs2)ccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.39
CYP2C9 P11712 4/20 0.39
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
AAK1 Q2M2I8 2/20 0.35
CIT O14578 1/20 0.35
GAK O14976 1/20 0.35
PRKX P51817 1/20 0.35
PRKCQ Q04759 1/20 0.35
HASPIN Q8TF76 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
PDE4B Q07343 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3118114 0.94 CYP3A4 (0.39) CYP2C19CYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL3129552 0.89 GPX4 (0.43) CYP2C19CYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL3121001 0.88 GPX4 (0.44) CYP2C19CYP2C9KCNH2CYP1A2AAK1
SCHEMBL3129490 0.86 F7 (0.41) CYP2C19CYP2C9KCNH2GPX4MEN1
SCHEMBL3129223 0.81 PDE4B (0.40) CYP2C19CYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL3132091 0.80 AAK1 (0.42) CYP2C19CYP2C9KCNH2CYP3A4CYP1A2
SCHEMBL3132090 0.78 GAA (0.39) CYP2C19CYP2C9KCNH2CYP3A4CYP1A2
SCHEMBL3131179 0.75 F2 (0.42) NPC1RAB9ASMN1; SMN2GPX4S1PR1
SCHEMBL3128380 0.72 KDM4E (0.50) SMN1; SMN2GPX4S1PR1MEN1MAPT
SCHEMBL3126018 0.72 DHFR (0.48) NPC1SMN1; SMN2GPX4MEN1MAPT

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 1 patent. 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

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 CYP2C19 241/4885CYP2C9 310/4885KCNH2 1582/4885

“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.