SCHEMBL13201555

SCHEMBL13201555

COc1ccc(CNc2nccc3cnc(C)n23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
CLK4 Q9HAZ1 4/20 0.45
CLK1 P49759 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
VNN1 O95497 1/20 0.42
DYRK1A Q13627 2/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CLK2 P49760 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 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
SCHEMBL13201553 0.81 GAA (0.46) GAAMAPTTHRBCLK4CLK1
SCHEMBL19878143 0.79 VNN1 (0.47) GAAMAPTTHRBCLK4CLK1
SCHEMBL13201559 0.79 TP53 (0.47) GAAMAPTTHRBCLK4CLK1
SCHEMBL29628182 0.79 GAA (0.44) GAAMAPTTHRBCLK4CLK1
SCHEMBL19878173 0.79 GAA (0.44) GAAMAPTTHRBCLK4CLK1
SCHEMBL30366987 0.79 KMT2A (0.53) GAAMAPTTHRBCLK4CLK1
SCHEMBL13201557 0.77 TP53 (0.46) GAAMAPTTHRBCLK4CLK1
SCHEMBL25934362 0.68 VNN1 (0.64) GAAMAPTTHRBCLK4CLK1
SCHEMBL10224746 0.68 CLK4 (0.61) GAAMAPTCLK4CLK1VNN1
SCHEMBL5622343 0.68 VNN1 (0.59) GAAMAPTCLK4CLK1VNN1

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 GAA 1067/4885MAPT 1359/4885THRB 1545/4885

“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.