SCHEMBL1055975

SCHEMBL1055975

CC(C)C(CO)Nc1ccc2ncc(-c3ccc(O)cc3)n2n1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 13/20 0.81
DYRK3 O43781 6/20 0.71
CCNT1 O60563 6/20 0.71
CDK9 P50750 6/20 0.71
CDK5 Q00535 6/20 0.71
DYRK1A Q13627 6/20 0.71
CDK5R1 Q15078 6/20 0.71
DYRK2 Q92630 6/20 0.71
DYRK1B Q9Y463 6/20 0.71
CCNA2 P20248 5/20 0.71
CDK2 P24941 5/20 0.71
PIM1 P11309 1/20 0.53
MKNK1 Q9BUB5 1/20 0.49

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
SCHEMBL1055974 1.00 FYN (0.81) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL1055085 0.89 FYN (0.79) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL20485848 0.89 FYN (1.00) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL2947145 0.89 FYN (0.79) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL2947149 0.89 FYN (0.79) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL16332008 0.89 FYN (1.00) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL1055088 0.89 FYN (0.79) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL22131022 0.88 FYN (0.78) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL20485793 0.88 FYN (1.00) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL18613468 0.88 FYN (1.00) FYNDYRK3CCNT1CDK9CDK5

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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US claimed

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 666/4885DYRK3 2299/4885CCNT1 4289/4885

“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.