SCHEMBL1789703

SCHEMBL1789703

COc1ccc(-c2n[nH]c(=O)c3cc(Br)ccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.55
GSK3A P49840 3/20 0.52
GSK3B P49841 3/20 0.52
DYRK1A Q13627 2/20 0.52
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE1C Q14123 1/20 0.47
PDE3A Q14432 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47

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
SCHEMBL1789828 0.94 GSK3A (0.52) ENPP1GSK3AGSK3BDYRK1APIK3R1
SCHEMBL4833909 0.92 ENPP1 (0.61) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4124300 0.88 ENPP1 (0.66) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4837386 0.84 ENPP1 (0.56) ENPP1GSK3AGSK3BDYRK1APDE4A
SCHEMBL4834774 0.83 ENPP1 (0.55) ENPP1GSK3AGSK3BDYRK1APDE4A
SCHEMBL4844032 0.82 ENPP1 (0.62) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL25184550 0.81 GSK3A (0.55) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4220816 0.81 AXL (0.55) GSK3AGSK3BDYRK1APDE1APDE1B
SCHEMBL30719652 0.81 ATM (0.67) GSK3AGSK3BDYRK1APDE4APDE4B
SCHEMBL710318 0.81 ATM (0.67) GSK3AGSK3BDYRK1APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 US 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 ENPP1 2281/4885GSK3A 1948/4885GSK3B 1898/4885

“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.