SCHEMBL1082260

SCHEMBL1082260

COc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cn1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.64
NTRK1 P04629 2/20 0.64
NTRK3 Q16288 2/20 0.64
NTRK2 Q16620 2/20 0.64
PIM1 P11309 2/20 0.51
MKNK1 Q9BUB5 1/20 0.48
PIK3CG P48736 1/20 0.47

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
SCHEMBL2949854 0.89 FYN (0.68) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1053021 0.86 FYN (0.68) FYNNTRK1NTRK3NTRK2PIK3CG
SCHEMBL3021153 0.85 NTRK1 (0.69) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL2949397 0.85 FYN (0.70) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1054612 0.85 FYN (0.78) FYNNTRK1NTRK3NTRK2PIK3CG
SCHEMBL1054219 0.84 PIM1 (0.71) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1051240 0.84 FYN (0.71) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL2946495 0.84 FYN (0.64) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL2943263 0.83 NTRK1 (0.66) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL2253533 0.82 FYN (0.83) FYN

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 666/4885NTRK1 750/4885NTRK3 896/4885

“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.