SCHEMBL3601950

SCHEMBL3601950

COc1ccc(-c2ccnn2Cc2ccc(C(=O)O)cc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
PTGER4 P35408 3/20 0.49
ALKBH1 Q13686 1/20 0.46
KDM5A P29375 3/20 0.46
KDM4C Q9H3R0 3/20 0.46
KDM5B Q9UGL1 3/20 0.46
PDE4B Q07343 2/20 0.45
NR3C2 P08235 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CFTR P13569 2/20 0.44
CYP17A1 P05093 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL3602547 0.90 FAAH (0.47) RAB9APTGER4PDE4BNR3C2PDE4A
SCHEMBL3602721 0.86 NR3C2 (0.49) LMNAMAPK1HTTPDE4BNR3C2
SCHEMBL3614208 0.86 CYP17A1 (0.46) HTTRAB9APDE4BPDE4APDE4C
SCHEMBL3608082 0.83 CYP17A1 (0.48) LMNAMAPK1HTTRAB9ANR3C2
SCHEMBL3612293 0.78 PDE4B (0.49) KDM5AKDM4CKDM5BPDE4BPDE4A
SCHEMBL3595738 0.78 PDE4D (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL3603088 0.78 NR3C2 (0.53) LMNAMAPK1HTTKDM4CPDE4B
SCHEMBL3643490 0.75 LMNA (0.75) LMNAMAPK1HTTRAB9APDE4B
SCHEMBL30595083 0.75 LMNA (0.75) LMNAMAPK1HTTRAB9APDE4B
SCHEMBL3613434 0.75 PDE4A (0.57) LMNAMAPK1HTTRAB9APDE4B

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US claimed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US claimed
CN-1809559-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2006-07-26 CN claimed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US claimed
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP claimed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US claimed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO claimed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
CN-1809559-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2006-07-26 CN disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 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 (4 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 LMNA 4613/4885MAPK1 3176/4885HTT 1068/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 LMNA 3738/4885MAPK1 2203/4885HTT 3569/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 LMNA 3738/4885MAPK1 2203/4885HTT 3569/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 LMNA 3738/4885MAPK1 2203/4885HTT 3569/4885

“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.