SCHEMBL6709852

SCHEMBL6709852

CC(Cc1ccccc1)n1cnc2c(NC3CC3)nc(C(F)(F)F)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
TLR7 Q9NYK1 1/20 0.46
CDK2 P24941 15/20 0.45
CCNE2 O96020 14/20 0.45
CCNA2 P20248 14/20 0.45
CCNE1 P24864 14/20 0.45
CCNA1 P78396 14/20 0.45
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CDK9 P50750 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL3137544 0.85 CDK2 (0.53) PDE4APDE4BPDE4CPDE4DCDK2
SCHEMBL3130740 0.83 CDK2 (0.56) PDE4APDE4BPDE4CPDE4DCDK2
SCHEMBL3133681 0.80 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL3136283 0.79 CDK2 (0.46) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL3140675 0.76 TLR7 (0.53) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL3142263 0.76 CDK2 (0.43) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL3132183 0.76 CDK2 (0.48) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL3131818 0.75 YTHDC1 (0.56) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL3138215 0.75 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL3141362 0.74 YTHDC1 (0.60) PDE4APDE4BPDE4CPDE4DCDK2

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-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US claimed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US claimed

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-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885

“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.