SCHEMBL4466280

SCHEMBL4466280

COc1nc(C(F)(F)F)nc2c1ncn2C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
PI4KA P42356 3/20 0.41
PI4K2B Q8TCG2 3/20 0.41
PI4K2A Q9BTU6 3/20 0.41
PI4KB Q9UBF8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
CTSL P07711 4/20 0.40
ADORA2B P29275 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
CTSS P25774 1/20 0.38
CTSB P07858 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PDE5A O76074 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
SCHEMBL4477711 0.83 PI4KA (0.43) TDP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4461587 0.80 PI4KA (0.43) TDP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL3137520 0.80 PDE4A (0.61) TDP1CTSLCTSSCTSBCCNE2
SCHEMBL4516459 0.80 PDE4A (0.51) TDP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4477213 0.80 PI4KA (0.41) TDP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4470221 0.80 PI4KA (0.41) TDP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL3146377 0.79 PDE4A (0.60) TDP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4467128 0.78 CTSL (0.41) TDP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL3137196 0.78 CTSL (0.53) TDP1CTSLCTSSCTSBCCNE2
SCHEMBL31380853 0.77 ADORA2A (0.43) TDP1PI4KAPI4K2BPI4K2API4KB

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 13 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
EP-1551837-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-07-13 EP claimed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US claimed
WO-2004014911-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 WO 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 TDP1 70/4885PI4KA 453/4885PI4K2B 674/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B TDP1 37/4885PI4KA 212/4885PI4K2B 350/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TDP1 70/4885PI4KA 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.