SCHEMBL1055021

SCHEMBL1055021

Nc1ccc2ncc(-c3ccc(F)cc3)n2n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.62
MKNK1 Q9BUB5 3/20 0.62
GRK5 P34947 1/20 0.53
PIM1 P11309 1/20 0.52
DYRK1A Q13627 1/20 0.48
DYRK2 Q92630 1/20 0.48
FLT3 P36888 1/20 0.46

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
SCHEMBL103473 0.82 FYN (0.81) FYNMKNK1
SCHEMBL3037756 0.82 FYN (0.61) FYNMKNK1
SCHEMBL22421552 0.82 FYN (0.64) FYNPIM1DYRK1ADYRK2
SCHEMBL102796 0.81 DYRK1A (0.71) FYNMKNK1PIM1DYRK1ADYRK2
SCHEMBL18613451 0.77 FYN (1.00) FYNMKNK1PIM1
SCHEMBL1056330 0.77 FYN (0.62) FYNMKNK1GRK5PIM1DYRK1A
SCHEMBL4707847 0.77 FYN (0.59) FYN
SCHEMBL3359311 0.76 FYN (0.47) FYNMKNK1DYRK1ADYRK2
SCHEMBL14881928 0.75 MKNK1 (0.56) FYNMKNK1DYRK1ADYRK2
SCHEMBL2944472 0.74 FYN (0.48) FYNMKNK1GRK5PIM1FLT3

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 4 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
EP-2086979-B1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2015-06-03 EP 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 105/4885GRK5 198/4885

“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.