SCHEMBL404092

SCHEMBL404092

O=C(NN1CCCCC1)c1cnn2ccc(NS(=O)(=O)c3ccccc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
CNR1 P21554 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL405685 0.85 KDM4E (0.45) IRAK4POLBJAK2JAK1TYK2
SCHEMBL400996 0.84 JAK2 (0.55) IRAK4POLBJAK2JAK1TYK2
SCHEMBL406628 0.83 FPR1 (0.45) IRAK4JAK2FLT3
SCHEMBL400997 0.83 IRAK4 (0.47) IRAK4LMNAPOLBHTTMEN1
SCHEMBL405286 0.83 JAK2 (0.55) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL406387 0.81 LMNA (0.44) IRAK4LMNAJAK2JAK1TYK2
SCHEMBL405586 0.80 JAK2 (0.54) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL406629 0.80 KDM4E (0.43) IRAK4LMNAJAK2JAK1TYK2
SCHEMBL406375 0.79 FPR1 (0.57) IRAK4HTTMEN1KMT2AJAK2
SCHEMBL404091 0.79 JAK2 (0.53) 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 9/4885LMNA 4783/4885POLB 2697/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885LMNA 4783/4885POLB 2697/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885LMNA 4783/4885POLB 2697/4885

“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.