SCHEMBL1055090

SCHEMBL1055090

COc1ccc(-c2cnc3ccc(Nc4ccccc4)nn23)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 12/20 0.71
MKNK1 Q9BUB5 3/20 0.70
KCNH2 Q12809 4/20 0.59
DYRK3 O43781 1/20 0.52
CCNT1 O60563 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CDK9 P50750 1/20 0.52
CDK5 Q00535 1/20 0.52
DYRK1A Q13627 1/20 0.52
CDK5R1 Q15078 1/20 0.52
DYRK2 Q92630 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
SRC P12931 1/20 0.51

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
SCHEMBL1054457 0.84 MKNK1 (0.74) FYNMKNK1KCNH2DYRK3CCNT1
SCHEMBL16009390 0.83 FYN (1.00) FYNMKNK1
SCHEMBL16623011 0.82 FYN (0.77) FYNMKNK1SRC
SCHEMBL3031885 0.82 MKNK1 (1.00) FYNMKNK1KCNH2DYRK3CCNT1
SCHEMBL16622975 0.81 FYN (0.65) FYN
SCHEMBL3043433 0.80 MKNK1 (0.80) FYNMKNK1KCNH2
SCHEMBL1202638 0.80 RAB9A (0.50) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL16010484 0.80 PIK3CD (0.54) FYNMKNK1KCNH2DYRK3CCNT1
SCHEMBL16009587 0.79 CCNT1 (0.66) FYNMKNK1KCNH2DYRK3CCNT1
SCHEMBL2951694 0.78 FYN (0.78) FYNMKNK1SRC

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 3 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
EP-2063962-A2 IRAK MODULATORS FOR TREATING AN INFLAMMATORY CONDITION, CELL PROLIFERATIVE DISORDER, IMMUNE DISORDER Biogen Idec MA Inc. (US) 2009-06-03 EP claimed
WO-2008030579-A2 IRAK MODULATORS FOR TREATING AN INFLAMMATORY CONDITION, CELL PROLIFERATIVE DISORDER, IMMUNE DISORDER BIOGEN IDEC MA INC. (US) 2008-03-13 WO 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 666/4885MKNK1 105/4885KCNH2 4576/4885

“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.