SCHEMBL3084202

SCHEMBL3084202

N#Cc1cnc(Cl)c2sc(Br)cc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CSNK1A1 P48729 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
LRRK2 Q5S007 1/20 0.33
HTT P42858 1/20 0.31
SLC1A5 Q15758 1/20 0.31
SRC P12931 3/20 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
SCHEMBL3088035 0.87 ALDH1A1 (0.37) ALDH1A1NPSR1TDP1CSNK1A1CLK4
SCHEMBL31097392 0.77 EGFR (0.33) HTT
SCHEMBL27702825 0.75 SNCA (0.33)
SCHEMBL4541305 0.74 LRRK2 (0.35) ALDH1A1NPSR1TDP1CSNK1A1CLK4
SCHEMBL3993667 0.74 CSNK1A1 (0.34) ALDH1A1NPSR1TDP1CSNK1A1CLK4
SCHEMBL5241264 0.74 HTT (0.45) ALDH1A1CSNK1A1CLK4HTT
SCHEMBL14373172 0.74 LRRK2 (0.34) LRRK2HTT
SCHEMBL14543531 0.71 EGFR (0.33) LRRK2
SCHEMBL27723223 0.68 SNCA (0.33)
SCHEMBL14257460 0.68 LRRK2 (0.36) LRRK2HTTSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2144630-A2 CHK1 INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES AstraZeneca AB (SE) 2010-01-20 EP disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
WO-2008132500-A2 CHKL INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2008-11-06 WO 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 (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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 ALDH1A1 1677/4885NPSR1 4860/4885TDP1 663/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 ALDH1A1 3057/4885NPSR1 4795/4885TDP1 976/4885

“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.