SCHEMBL3131580

SCHEMBL3131580

CNc1nc(C(F)(F)F)nc2c1ncn2-c1sccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.56
PDE4B Q07343 6/20 0.56
PDE4C Q08493 6/20 0.56
PDE4D Q08499 6/20 0.56
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
YTHDC1 Q96MU7 9/20 0.35
ADORA2A P29274 1/20 0.33
IKBKB O14920 3/20 0.32
CHUK O15111 2/20 0.32
CDK2 P24941 1/20 0.32
PLK1 P53350 1/20 0.32
BTK Q06187 1/20 0.32
ITK Q08881 1/20 0.32
IKBKE Q14164 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL4465559 0.81 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE5A
Dimethylamine SCHEMBL3141342 0.76 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL28002735 0.74 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3136315 0.74 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131709 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131570 0.73 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3140815 0.73 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131979 0.72 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133728 0.72 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3135979 0.71 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A

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
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
EP-1529049-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-05-11 EP disclosed
WO-2004014913-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS 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-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885

“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.