SCHEMBL13201557

SCHEMBL13201557

COc1ccc(CNc2nccc3c(Br)nc(C)n23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
CLK4 Q9HAZ1 3/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CLK1 P49759 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 5/20 0.44
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42

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
SCHEMBL13201559 0.88 TP53 (0.47) TP53LMNACLK4ALDH1A1NPC1
SCHEMBL13201555 0.77 GAA (0.49) TP53LMNACLK4ALDH1A1NPC1
SCHEMBL29734823 0.70 CLK4 (0.60) CLK4NPC1RAB9ACLK1KDM4E
SCHEMBL13202862 0.69 CLK4 (0.49) TP53LMNACLK4ALDH1A1CLK1
SCHEMBL14287940 0.69 CCNT1 (0.50) TP53LMNACLK4ALDH1A1CLK1
SCHEMBL13848033 0.69 DYRK1A (0.49) TP53LMNACLK4NPC1CLK1
SCHEMBL10224746 0.68 CLK4 (0.61) CLK4CLK1GAAMAPTMEN1
SCHEMBL13202963 0.68 EGFR (0.43) TP53LMNACLK4ALDH1A1CLK1
SCHEMBL14287939 0.68 CLK4 (0.48) TP53LMNACLK4ALDH1A1CLK1
SCHEMBL23536545 0.68 ALDH1A1 (0.52) TP53LMNAALDH1A1NPC1RAB9A

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-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 TP53 526/4885LMNA 1953/4885CLK4 517/4885

“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.