SCHEMBL4901416

SCHEMBL4901416

COc1ccc(CNc2c(N)ccnc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.50
CLK1 P49759 3/20 0.50
DYRK1A Q13627 3/20 0.50
CLK2 P49760 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ASPH Q12797 1/20 0.50
KDM8 Q8N371 1/20 0.50
NPC1 O15118 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
VNN1 O95497 1/20 0.43
HTT P42858 1/20 0.43
APP P05067 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL16332117 0.83 KDM4E (0.50) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL30148165 0.81 CLK4 (0.50) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL2450873 0.81 CLK4 (0.50) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL3799558 0.79 ASPH (0.76) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL13351975 0.74 NPC1 (0.52) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL25750998 0.73 CLK4 (0.48) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL12362922 0.72 CLK4 (0.67) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL5233252 0.72 HTT (0.58) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL29634669 0.72 HTT (0.58) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL21382408 0.71 NPC1 (0.62) CLK4DYRK1ANPC1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 CLK4 1166/4885CLK1 771/4885DYRK1A 1512/4885

“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.