SCHEMBL3138702

SCHEMBL3138702

FC(F)(F)c1cccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
MALT1 Q9UDY8 1/20 0.47
CDK1 P06493 2/20 0.44
TLR7 Q9NYK1 3/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
PDE4B Q07343 2/20 0.41
PDE4D Q08499 2/20 0.41
ABL1 P00519 3/20 0.40
SRC P12931 2/20 0.39
HTT P42858 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
CYP11B2 P19099 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3140675 0.90 TLR7 (0.53) XDHMALT1TLR7YTHDC1PDE4B
SCHEMBL3146372 0.88 XDH (0.42) XDHMALT1CDK1TLR7YTHDC1
SCHEMBL3137312 0.88 TLR7 (0.42) XDHMALT1CDK1TLR7YTHDC1
SCHEMBL3127387 0.88 TLR7 (0.44) MALT1CDK1TLR7YTHDC1PDE4B
SCHEMBL3142327 0.87 PIM1 (0.44) TLR7YTHDC1PDE4BPDE4DPDE4A
SCHEMBL3146233 0.87 XDH (0.46) XDHCDK1TLR7YTHDC1PDE4B
SCHEMBL3137257 0.86 CDK1 (0.43) CDK1TLR7YTHDC1PDE4BPDE4D
SCHEMBL3137223 0.85 YTHDC1 (0.54) XDHTLR7YTHDC1ABL1SRC
SCHEMBL3146103 0.85 YTHDC1 (0.40) XDHCDK1TLR7YTHDC1PDE4B
SCHEMBL3142034 0.84 GRM1 (0.46) MALT1CDK1TLR7YTHDC1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 US disclosed
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2010-01-07 US disclosed
EP-1529049-B1 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2009-11-18 EP disclosed
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 US disclosed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 US disclosed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 US disclosed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 US disclosed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 US disclosed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US disclosed
EP-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 EP disclosed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US disclosed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 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 (7 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-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A XDH 226/4885MALT1 4725/4885CDK1 775/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885MALT1 4725/4885CDK1 775/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B XDH 259/4885MALT1 3780/4885CDK1 772/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885MALT1 4725/4885CDK1 775/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B XDH 259/4885MALT1 3780/4885CDK1 772/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885MALT1 4725/4885CDK1 775/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885MALT1 4725/4885CDK1 775/4885

“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.