SCHEMBL4977764

SCHEMBL4977764

O=C(O)c1cn(-c2ccc(F)cc2)cn1.OCc1cn(-c2ccc(F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KDM4E B2RXH2 1/20 0.40
CPB1 P15086 1/20 0.38
CPB2 Q96IY4 1/20 0.38
P4HTM Q9NXG6 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
SCHEMBL2174602 0.89 KDM4E (0.48) KDM4E
SCHEMBL27911750 0.87 KDM4E (0.47) KDM4E
SCHEMBL2173293 0.87 PDE3B (0.50) PDE3BPDE3AKDM4ECPB1CPB2
SCHEMBL4977770 0.77 NOTUM (0.48) PDE3BPDE3AKDM4ECPB1CPB2
SCHEMBL30582312 0.75 MAP4K4 (0.43) KDM4E
SCHEMBL14701713 0.75 PTGS2 (0.42) KDM4E
SCHEMBL4433834 0.74 CPB2 (0.50) PDE3BPDE3AKDM4ECPB1CPB2
SCHEMBL69486 0.74 KDM4E (0.55) KDM4ECPB1CPB2P4HTM
SCHEMBL4425081 0.73 MAP4K4 (0.51) KDM4E
SCHEMBL4424566 0.73 NPC1 (0.53) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP disclosed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 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 (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-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 PDE3B 2567/4885PDE3A 3152/4885KDM4E 958/4885

“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.