SCHEMBL406737

SCHEMBL406737

O=C(Nc1ccccc1)c1cnn2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.51
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
EPHB3 P54753 1/20 0.45
SLC22A12 Q96S37 4/20 0.41
CYP2C9 P11712 2/20 0.41
SLC22A6 Q4U2R8 2/20 0.41
SLC22A8 Q8TCC7 2/20 0.41
SLC22A11 Q9NSA0 2/20 0.41
FLT3 P36888 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL16459838 0.87 IRAK4 (0.44) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL400997 0.84 IRAK4 (0.47) IRAK4MEN1ALDH1A1KMT2ACYP2C9
SCHEMBL16461059 0.83 IRAK4 (0.49) IRAK4JAK2EPHB3
SCHEMBL406736 0.83 IRAK4 (0.53) IRAK4ALDH1A1JAK2JAK1TYK2
SCHEMBL404579 0.83 JAK2 (0.55) IRAK4MEN1KMT2AJAK2JAK1
SCHEMBL16459757 0.82 IRAK4 (0.44) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL16460642 0.82 NTRK1 (0.45) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL16461057 0.82 GPR27 (0.47) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL16461386 0.81 GPR27 (0.44) IRAK4ALDH1A1JAK2JAK1TYK2
SCHEMBL16460557 0.81 IRAK4 (0.52) IRAK4JAK2JAK1TYK2JAK3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885MEN1 2920/4885ALDH1A1 1236/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885MEN1 2920/4885ALDH1A1 1236/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885MEN1 2920/4885ALDH1A1 1236/4885

“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.