SCHEMBL4564892

SCHEMBL4564892

[N]c1nccc(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.68
GSK3B P49841 2/20 0.68
CLK1 P49759 1/20 0.68
CDK5 Q00535 1/20 0.68
CDK5R1 Q15078 1/20 0.68
MAP3K14 Q99558 1/20 0.68
EIF2AK2 P19525 1/20 0.56
FLT3 P36888 2/20 0.55
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL20030496 0.84 DYRK1A (0.72) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL3818537 0.81 DYRK1A (0.68) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL29488162 0.81 GSK3B (1.00) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL29534011 0.81 DYRK1A (0.68) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL573402 0.81 GSK3B (1.00) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL28230580 0.80 CLK1 (0.67) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL25034150 0.78 TUBB4A (0.68) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL7496465 0.78 DYRK1A (0.63) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL20691186 0.78 EIF2AK2 (0.67) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL145566 0.77 GSK3B (0.70) DYRK1AGSK3BCLK1CDK5CDK5R1

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-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 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-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 DYRK1A 321/4885GSK3B 110/4885CLK1 646/4885

“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.