SCHEMBL6833732

SCHEMBL6833732

O=C1Nc2ccc(Br)cc2C1=Cc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
MAPK1 P28482 1/20 0.70
HTT P42858 1/20 0.70
GSK3B P49841 1/20 0.67
TGM2 P21980 2/20 0.64
RAF1 P04049 2/20 0.59
PIK3C3 Q8NEB9 1/20 0.59
PLK4 O00444 2/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAP1LC3B Q9GZQ8 1/20 0.56
KDM4E B2RXH2 1/20 0.56
RPS6KA3 P51812 1/20 0.55
RET P07949 1/20 0.51
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51

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
SCHEMBL13081136 1.00 MAPT (0.70) MAPTMAPK1HTTGSK3BTGM2
SCHEMBL6857818 1.00 MAPT (0.70) MAPTMAPK1HTTGSK3BTGM2
SCHEMBL13080521 0.85 LRRK2 (0.71) MAPTMAPK1HTTGSK3BTGM2
SCHEMBL5365953 0.85 MAPT (0.70) MAPTMAPK1HTTGSK3BTGM2
SCHEMBL27613119 0.85 LRRK2 (0.71) MAPTMAPK1HTTGSK3BTGM2
SCHEMBL5727968 0.84 MEN1 (0.66) TGM2PLK4MEN1KMT2AMAP1LC3B
SCHEMBL5727972 0.84 MEN1 (0.66) TGM2PLK4MEN1KMT2AMAP1LC3B
SCHEMBL6835454 0.84 MEN1 (0.73) PLK4MEN1KMT2AMAP1LC3BRPS6KA3
SCHEMBL6857929 0.84 MEN1 (0.73) PLK4MEN1KMT2AMAP1LC3BRPS6KA3
SCHEMBL5727967 0.82 MAPT (1.00) MAPTMAPK1HTTGSK3BTGM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPT 3336/4885MAPK1 40/4885HTT 4817/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPT 3336/4885MAPK1 40/4885HTT 4817/4885

“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.