SCHEMBL1053101

SCHEMBL1053101

NS(=O)(=O)c1ccc(CNc2ccc3ncc(-c4cccc(C=O)c4)n3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.66
NTRK3 Q16288 4/20 0.66
NTRK2 Q16620 4/20 0.66
DYRK1A Q13627 3/20 0.55
DYRK2 Q92630 3/20 0.55
DYRK1B Q9Y463 3/20 0.55
DYRK3 O43781 2/20 0.55
CCNT1 O60563 2/20 0.55
CDK9 P50750 2/20 0.55
CDK5 Q00535 2/20 0.55
CDK5R1 Q15078 2/20 0.55
FYN P06241 9/20 0.52
PIM1 P11309 3/20 0.51
MKNK1 Q9BUB5 1/20 0.49
JAK2 O60674 1/20 0.48
ABL1 P00519 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48

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
SCHEMBL2949572 0.88 NTRK1 (0.69) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL13234539 0.87 NTRK1 (0.70) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL2942579 0.84 NTRK1 (0.67) NTRK1NTRK3NTRK2DYRK1ADYRK2
SCHEMBL2951116 0.84 FYN (0.67) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL102929 0.84 NTRK1 (0.64) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL2945213 0.83 NTRK1 (0.68) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL2947680 0.82 PIM1 (0.77) NTRK1NTRK3NTRK2PIM1RET
SCHEMBL2943263 0.82 NTRK1 (0.66) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL1054219 0.81 PIM1 (0.71) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL1051240 0.81 FYN (0.71) NTRK1NTRK3NTRK2FYNPIM1

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 NTRK1 750/4885NTRK3 896/4885NTRK2 659/4885

“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.