SCHEMBL4054518

SCHEMBL4054518

FC(F)(F)c1ccc(C=Cc2nc3ccc(-c4ccco4)cc3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.44
PIK3CA P42336 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ERBB2 P04626 15/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL4054515 1.00 PIK3R1 (0.44) PIK3R1PIK3CAMEN1ALDH1A1MAPT
SCHEMBL4060638 0.91 PIK3R1 (0.44) PIK3R1PIK3CAMEN1ALDH1A1MAPT
SCHEMBL4060633 0.91 PIK3R1 (0.44) PIK3R1PIK3CAMEN1ALDH1A1MAPT
SCHEMBL4053726 0.86 UTRN (0.47) PIK3R1PIK3CAMEN1ALDH1A1RAB9A
SCHEMBL4053724 0.86 UTRN (0.47) PIK3R1PIK3CAMEN1ALDH1A1RAB9A
SCHEMBL4051094 0.84 ERBB2 (0.52) MEN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL4051101 0.84 ERBB2 (0.52) MEN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL4062204 0.78 PIK3R1 (0.44) PIK3R1PIK3CAMEN1ALDH1A1MAPT
SCHEMBL4062200 0.78 PIK3R1 (0.44) PIK3R1PIK3CAMEN1ALDH1A1MAPT
SCHEMBL4055549 0.77 ERBB2 (0.46) MEN1ALDH1A1MAPTRAB9AKMT2A

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 PIK3R1 565/4885PIK3CA 848/4885MEN1 3709/4885

“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.