SCHEMBL1054792

SCHEMBL1054792

Nc1cccc(-c2cnc3ccc(NCCCO)nn23)c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.78
MKNK1 Q9BUB5 3/20 0.65
DYRK3 O43781 2/20 0.64
CCNT1 O60563 2/20 0.64
CCNA2 P20248 2/20 0.64
CDK2 P24941 2/20 0.64
CDK9 P50750 2/20 0.64
CDK5 Q00535 2/20 0.64
DYRK1A Q13627 2/20 0.64
CDK5R1 Q15078 2/20 0.64
DYRK2 Q92630 2/20 0.64
DYRK1B Q9Y463 2/20 0.64

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
SCHEMBL13234628 0.87 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL1051343 0.86 FYN (0.72) FYNMKNK1
SCHEMBL2942585 0.86 FYN (0.72) FYNMKNK1
SCHEMBL2943274 0.86 FYN (0.72) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL1052447 0.85 FYN (0.81) FYNMKNK1
SCHEMBL1049257 0.84 FYN (0.70) FYNMKNK1
SCHEMBL2945964 0.84 FYN (1.00) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL1049258 0.84 FYN (0.83) FYNMKNK1DYRK3DYRK1ADYRK2
SCHEMBL18613660 0.83 FYN (1.00) FYNMKNK1
SCHEMBL1056095 0.83 FYN (0.81) FYNMKNK1

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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US claimed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 FYN 666/4885MKNK1 105/4885DYRK3 2299/4885

“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.