SCHEMBL4058304

SCHEMBL4058304

Fc1ccc(Cc2nc3ncc(-c4ccco4)cc3[nH]2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
MPO P05164 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
FLT3 P36888 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
CASP6 P55212 1/20 0.35
EGFR P00533 1/20 0.34
GPER1 Q99527 1/20 0.33
P2RY6 Q15077 1/20 0.32

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
SCHEMBL4059633 0.87 HPGD (0.38) ADORA2AADORA3ADORA1NOS3NOS1
SCHEMBL13608074 0.83 ADORA2A (0.38) ADORA2AADORA3ADORA2BADORA1PCSK9
SCHEMBL4059176 0.82 ADRA2A (0.36) PCSK9NOS3NOS1NOS2EGFR
SCHEMBL4060153 0.81 KDM4E (0.39) ADORA2AADORA3ADORA2BADORA1MPO
SCHEMBL4054880 0.81 NOS3 (0.42) ADORA2ANOS3NOS1NOS2FLT3
SCHEMBL4054333 0.81 GAA (0.43) NOS3NOS1NOS2EGFR
SCHEMBL4055088 0.79 PRNP (0.42) ADORA2AADORA3ADORA1NOS3NOS1
SCHEMBL4053889 0.78 HPGD (0.50) MPOPCSK9NOS3NOS1NOS2
SCHEMBL4062519 0.78 TSHR (0.47) ADORA2AADORA3ADORA2BADORA1NOS3
SCHEMBL4061234 0.78 NOS3 (0.45) ADORA2AADORA3ADORA1NOS3NOS1

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 ADORA2A 3069/4885ADORA3 3829/4885ADORA2B 1001/4885

“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.