SCHEMBL3141104

SCHEMBL3141104

CNc1nc(C(F)(F)F)nc2c1ncn2-c1cccc(C(=O)NS(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 5/20 0.55
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
SCN2B O60939 6/20 0.43
SCN1B Q07699 6/20 0.43
SCN9A Q15858 6/20 0.43
SCN1A P35498 5/20 0.43
SCN5A Q14524 5/20 0.43
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SYK P43405 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
XDH P47989 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL3141415 0.89 YTHDC1 (0.42) YTHDC1SCN2BSCN1BSCN9ASCN1A
SCHEMBL3141506 0.89 PDE4A (0.49) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3130213 0.86 YTHDC1 (0.60) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3133504 0.86 YTHDC1 (0.72) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL4458819 0.86 SCN9A (0.42) YTHDC1SCN2BSCN1BSCN9ASCN1A
SCHEMBL3137129 0.85 YTHDC1 (0.58) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3146210 0.84 PDE4A (0.50) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL6253561 0.83 SCN9A (0.40) YTHDC1SCN2BSCN1BSCN9ASCN1A
SCHEMBL3136189 0.82 NR1H2 (0.53) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3145969 0.80 YTHDC1 (0.41) YTHDC1PDE4APDE4BPDE4CPDE4D

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-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2010-01-07 US claimed
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 US claimed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 US claimed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 US claimed
CN-1688580-A 2-Trifluoromethyl-6-aminopurine derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN claimed
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
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-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 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
CN-1688580-A 2-Trifluoromethyl-6-aminopurine derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN 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-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A YTHDC1 3986/4885PDE4A 1/4885PDE4B 5/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A YTHDC1 3986/4885PDE4A 1/4885PDE4B 5/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A YTHDC1 3986/4885PDE4A 1/4885PDE4B 5/4885

“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.