SCHEMBL4053263

SCHEMBL4053263

COc1ccccc1-c1nc2ncc(-c3cccc(C(F)(F)F)c3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.52
AURKA O14965 4/20 0.52
GRIN1 Q05586 5/20 0.44
GRIN2B Q13224 5/20 0.44
PTPN5 P54829 1/20 0.42
SCN2A Q99250 2/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PDE2A O00408 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
AMY1A P0DUB6 1/20 0.40

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
SCHEMBL4049480 0.92 AURKA (0.46) PDE5AAURKAPTPN5SCN2AJAK2
SCHEMBL4059875 0.85 PDE5A (0.62) PDE5AAURKAPDE2APDGFRBPDGFRA
SCHEMBL4055971 0.85 AURKA (0.56) PDE5AAURKAPDE2APDGFRBPDGFRA
SCHEMBL13607927 0.83 GRIN1 (0.49) PDE5AGRIN1GRIN2BPTPN5SCN2A
SCHEMBL4058461 0.83 SCN2A (0.56) AURKAGRIN1GRIN2BSCN2A
SCHEMBL4059872 0.83 AURKA (0.61) AURKAGRIN1GRIN2B
SCHEMBL4050873 0.83 AURKA (0.58) AURKAGRIN1GRIN2BSCN2APDGFRB
SCHEMBL4057030 0.81 SCN2A (0.53) AURKASCN2A
SCHEMBL4051168 0.80 PDE5A (0.58) PDE5AAURKAPDE2APDGFRBPDGFRA
SCHEMBL4060342 0.79 PDE5A (0.57) PDE5AAURKAPDE2APDGFRBPDGFRA

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 247/4885GRIN1 3175/4885

“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.