SCHEMBL3304844

SCHEMBL3304844

Nc1ncc2c[nH]cc2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.43
DYRK1A Q13627 3/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
ALDH1A1 P00352 1/20 0.36
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK14 Q16539 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HSP90AA1 P07900 1/20 0.31
NFATC1 O95644 1/20 0.30
GSK3B P49841 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 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
Hydrochloric Acid SCHEMBL15874708 0.96 CLK1 (0.41) CLK1DYRK1ACSNK1DCSNK1EALDH1A1
SCHEMBL30112896 0.72 CLK1 (0.43) CLK1DYRK1ACSNK1DCSNK1EALDH1A1
SCHEMBL28163524 0.71 ADORA3 (0.34)
SCHEMBL26244783 0.68 ADORA3 (0.32) ADORA2AADORA1
SCHEMBL26782161 0.68 ADORA2A (0.35) ADORA2AADORA1
SCHEMBL29466543 0.67 CLK1 (0.65) CLK1DYRK1ACSNK1DCSNK1EALDH1A1
SCHEMBL29428721 0.67 CLK1 (0.65) CLK1DYRK1ACSNK1DCSNK1ELCK
SCHEMBL41506 0.65 LCK (0.50) CLK1DYRK1ACSNK1DCSNK1EALDH1A1
SCHEMBL207434 0.65
SCHEMBL29509257 0.65 LCK (0.50) CLK1DYRK1ACSNK1DCSNK1EALDH1A1

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-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 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-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 CLK1 2873/4885DYRK1A 1253/4885CSNK1D 1469/4885

“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.