SCHEMBL3137312

SCHEMBL3137312

Oc1cccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.42
YTHDC1 Q96MU7 2/20 0.40
RPS6KA3 P51812 1/20 0.40
CDK1 P06493 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
XDH P47989 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
NT5E P21589 1/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
CCNE1 P24864 1/20 0.37

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
SCHEMBL3138702 0.88 XDH (0.50) TLR7YTHDC1CDK1PDE4APDE4B
SCHEMBL3146372 0.88 XDH (0.42) TLR7YTHDC1CDK1PDE4APDE4B
SCHEMBL3137142 0.87 TLR7 (0.43) TLR7YTHDC1RPS6KA3CDK1PDE4A
SCHEMBL3140675 0.87 TLR7 (0.53) TLR7YTHDC1PDE4APDE4BPDE4C
SCHEMBL3137223 0.86 YTHDC1 (0.54) TLR7YTHDC1XDHCCNE1CDK2
SCHEMBL3146233 0.86 XDH (0.46) TLR7YTHDC1CDK1PDE4APDE4B
SCHEMBL3142327 0.86 PIM1 (0.44) TLR7YTHDC1PDE4APDE4BPDE4C
SCHEMBL3137257 0.85 CDK1 (0.43) TLR7YTHDC1CDK1PDE4BPDE4D
SCHEMBL3145707 0.85 PDE4A (0.55) YTHDC1RPS6KA3PDE4APDE4BPDE4C
SCHEMBL3146103 0.84 YTHDC1 (0.40) TLR7YTHDC1CDK1PDE4APDE4B

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-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
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
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 TLR7 4771/4885YTHDC1 3986/4885RPS6KA3 2846/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TLR7 4771/4885YTHDC1 3986/4885RPS6KA3 2846/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TLR7 4771/4885YTHDC1 3986/4885RPS6KA3 2846/4885

“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.