SCHEMBL4055545

SCHEMBL4055545

FC(F)(F)c1ccc(/C=C/c2nc3ccc(Br)cc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SNCA P37840 1/20 0.42
AHR P35869 1/20 0.40
PTGS1 P23219 1/20 0.40
NQO2 P16083 1/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
UTRN P46939 1/20 0.38
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38

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
SCHEMBL4055549 1.00 ERBB2 (0.46) ERBB2MEN1RAB9AKMT2AALDH1A1
SCHEMBL4060506 0.90 ERBB2 (0.46) ERBB2MEN1RAB9AKMT2AALDH1A1
SCHEMBL4060500 0.90 ERBB2 (0.46) ERBB2MEN1RAB9AKMT2AALDH1A1
SCHEMBL4050480 0.82 UTRN (0.53) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4050474 0.82 UTRN (0.53) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4051101 0.81 ERBB2 (0.52) ERBB2MEN1RAB9AKMT2AALDH1A1
SCHEMBL4051094 0.81 ERBB2 (0.52) ERBB2MEN1RAB9AKMT2AALDH1A1
SCHEMBL13607819 0.78 ERBB2 (0.43) ERBB2MEN1RAB9AKMT2AALDH1A1
SCHEMBL4054515 0.77 PIK3R1 (0.44) ERBB2MEN1RAB9AKMT2AALDH1A1
SCHEMBL4054518 0.77 PIK3R1 (0.44) ERBB2MEN1RAB9AKMT2AALDH1A1

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 ERBB2 28/4885MEN1 3709/4885RAB9A 1184/4885

“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.