SCHEMBL4528498

SCHEMBL4528498

CCCCc1nc(C(F)(F)F)nc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
POLA1 P09884 5/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL4532005 0.85 PARP1 (0.33) CTSSTLR7PARP1
SCHEMBL6473883 0.83
SCHEMBL4528503 0.77 ADORA3 (0.45) ADORA3ADORA2AADORA2BADORA1POLA1
SCHEMBL4566337 0.75
SCHEMBL3141424 0.75 CTSS (0.40) ADORA3CTSSCTSKTLR7PARP1
SCHEMBL4534386 0.73 PARP1 (0.35) PARP1
SCHEMBL9465613 0.72 HRH3 (0.35) HRH3ADORA3ADORA2AADORA2BHRH4
SCHEMBL8642690 0.72 HRH3 (0.35) HRH3ADORA3ADORA2AADORA2BHRH4
SCHEMBL7073447 0.72 HRH3 (0.41) HRH3POLA1HRH4
SCHEMBL3255130 0.71 PDE4A (0.51) TLR7PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US 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 HRH3 2918/4885ADORA3 1283/4885ADORA2A 1503/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B HRH3 3315/4885ADORA3 1335/4885ADORA2A 1619/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A HRH3 2918/4885ADORA3 1283/4885ADORA2A 1503/4885

“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.