SCHEMBL4462529

SCHEMBL4462529

CCc1nc(C(F)(F)F)nc2c1ncn2-c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
GRM1 Q13255 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
GRM5 P41594 2/20 0.35

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
SCHEMBL4466877 0.87 XDH (0.50) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL4458840 0.86 XDH (0.44) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL4457782 0.86 PDE4A (0.36) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL4466459 0.85 XDH (0.43) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL4466888 0.85 ADORA2A (0.39) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL4472575 0.85 PDE4A (0.44) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL4477884 0.85 PDE4A (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4468803 0.84 PDE4A (0.36) XDHMEN1KMT2AGRM1
SCHEMBL4460201 0.81 NR1H4 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3131570 0.81 PDE4A (0.57) XDHPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US claimed
US-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2008-10-30 US claimed
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US claimed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US claimed
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US disclosed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
US-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2008-10-30 US disclosed
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US disclosed
EP-1551837-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-07-13 EP disclosed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US disclosed
WO-2004014911-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 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 (3 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-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885PI4KA 453/4885PI4K2B 674/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B XDH 259/4885PI4KA 212/4885PI4K2B 350/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885PI4KA 453/4885PI4K2B 674/4885

“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.