SCHEMBL4349967

SCHEMBL4349967

Cc1cc2c(=O)[nH]cc(Br)c2s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
PTP4A3 O75365 1/20 0.36
PTP4A2 Q12974 1/20 0.36
PTP4A1 Q93096 1/20 0.36
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
DAO P14920 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL22859936 0.77 GSK3B (0.46) GSK3BALDH1A1MAPTPKMNPSR1
Ammonia Solution, Strong SCHEMBL15716761 0.76 GSK3B (0.51) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL15716938 0.76 GSK3B (0.51) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL13606460 0.75 GSK3B (0.41) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL31484430 0.73 KDM4E (0.50) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL17779584 0.72 POLB (0.36) ALDH1A1GLAMAPTPKMNPSR1
SCHEMBL4494878 0.72 GSK3B (0.74) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL17321357 0.69 GSK3B (0.37) GSK3BALDH1A1GLADAOERCC1
SCHEMBL5240090 0.67 GSK3B (0.45) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL22301768 0.67 BRD9 (0.35) MAPTPKMNPSR1RXFP1KDM4E

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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 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 (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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 GSK3B 256/4885PTP4A3 3405/4885PTP4A2 3291/4885

“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.