SCHEMBL4058101

SCHEMBL4058101

COc1ccccc1-c1cnc2nc(-c3cccc(F)c3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.50
PDE5A O76074 4/20 0.50
FYN P06241 2/20 0.48
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
AMY1A P0DUB6 3/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
SCD O00767 1/20 0.44
BRAF P15056 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CYP3A4 P08684 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
SCHEMBL4054400 0.91 AURKA (0.52) AURKAPDE5APDGFRBPDGFRAAMY1A
SCHEMBL4049480 0.87 AURKA (0.46) AURKAPDE5APDGFRBPDGFRABRAF
SCHEMBL4053763 0.87 AURKA (0.56) AURKAPDE5AFYNPDGFRBPDGFRA
SCHEMBL4061917 0.86 PDE5A (0.55) AURKAPDE5APDGFRBPDGFRAAMY1A
SCHEMBL4058832 0.85 AURKA (0.46) AURKAPDE5APDGFRBPDGFRAGRIN1
SCHEMBL4054258 0.84 AURKA (0.49) AURKAPDE5APDGFRBPDGFRABRAF
SCHEMBL4051632 0.84 SCD (0.53) AURKAPDE5APDGFRBPDGFRASCD
SCHEMBL4051168 0.84 PDE5A (0.58) AURKAPDE5APDGFRBPDGFRAAMY1A
SCHEMBL4059875 0.82 PDE5A (0.62) AURKAPDE5APDGFRBPDGFRACYP3A4
SCHEMBL13608555 0.82 PDGFRB (0.49) PDE5AFYNPDGFRBPDGFRAAMY1A

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 AURKA 247/4885PDE5A 2762/4885FYN 10/4885

“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.