SCHEMBL4060342

SCHEMBL4060342

COc1ccccc1-c1nc2ncc(-c3cccc4ccccc34)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.57
AURKA O14965 2/20 0.57
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
PDE2A O00408 1/20 0.45
PDE10A Q9Y233 1/20 0.43
PARP1 P09874 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
AMY1A P0DUB6 2/20 0.42

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
SCHEMBL4059875 0.85 PDE5A (0.62) PDE5AAURKAPDGFRBPDGFRAPDE2A
SCHEMBL4055464 0.85 AURKA (0.60) AURKAPARP1
SCHEMBL4051168 0.85 PDE5A (0.58) PDE5AAURKAPDGFRBPDGFRAPDE2A
SCHEMBL4053861 0.84 AURKA (0.59) AURKAPARP1
SCHEMBL4055971 0.83 AURKA (0.56) PDE5AAURKAPDGFRBPDGFRAPDE2A
SCHEMBL4057426 0.83 AURKA (0.48) AURKA
SCHEMBL4061917 0.82 PDE5A (0.55) PDE5AAURKAPDGFRBPDGFRAPDE2A
SCHEMBL13607908 0.81 PDGFRB (0.50) PDE5AAURKAPDGFRBPDGFRAPDE10A
SCHEMBL4058101 0.81 AURKA (0.50) PDE5AAURKAPDGFRBPDGFRAAMY1A
SCHEMBL4054400 0.80 AURKA (0.52) PDE5AAURKAPDGFRBPDGFRAAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B PDE5A 2762/4885AURKA 247/4885PDGFRB 134/4885

“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.