SCHEMBL6624235

SCHEMBL6624235

CCCCOc1ncc(I)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SRC P12931 2/20 0.35
AR P10275 2/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15053307 0.78 GAA (0.40) ALDH1A1HPGDKDM4EL3MBTL1SRC
SCHEMBL16631789 0.77 CYP2C9 (0.40) KDM4EGAAHSD17B10
SCHEMBL11213165 0.73 MAPK8 (0.39) MAPK8MAPK9PDE4BPDE4CPDE4D
SCHEMBL30488636 0.72 SLC22A12 (0.33)
SCHEMBL21222821 0.72 SLC22A12 (0.33)
SCHEMBL3082319 0.71 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL6624693 0.71 KDM4E (0.45) MAPK8ALDH1A1KDM4EMEN1TSHR
SCHEMBL13362524 0.70 ALDH1A1 (0.49) ALDH1A1HPGDAR
SCHEMBL6624700 0.70 CNR2 (0.37) MAPK8MAPK9ALDH1A1KDM4EL3MBTL1
SCHEMBL6625524 0.70 MEN1 (0.44) MAPK8MAPK9ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794387-B2 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (CGMP PDE5) INHIBITORS; 2-(5-ACETYL-2-BUTOXY-3-PYRIDINYL)-7-ETHYL-5-METHYLIMIDAZO(5,1 -F)(1,2,4)TRIAZIN-4(3H)-ONE FOR EXAMPLE PFIZER INC. 2004-09-21 US disclosed
EP-1395589-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE 5 INHIBITORS Pfizer Limited (GB) 2004-03-10 EP disclosed
EP-1380293-A1 BONE METABOLISM IMPROVING AGENTS The Nisshin OilliO, Ltd. (JP) 2004-01-14 EP disclosed
EP-1092719-B1 Imidazo[5,1-f][1,2,4]triazine derivatives PFIZER LTD (GB) 2003-05-28 EP disclosed
US-6503908-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; sexual disorders PFIZER INC 2003-01-07 US disclosed
US-20020177599-A1 Pharmaceutically active compounds PFIZER INC. 2002-11-28 US disclosed
WO-2002079203-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE 5 INHIBITORS PFIZER LIMITED (GB) 2002-10-10 WO disclosed
EP-1092719-A2 Imidazo[5,1-f][1,2,4]triazine derivatives Pfizer Limited (GB) 2001-04-18 EP 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 (1 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-20020177599-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A MAPK8 3217/4885MAPK9 2524/4885PDE4B 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.