SCHEMBL16459757

SCHEMBL16459757

O=C(Nc1ccccc1)c1cnn2ccc(NS(=O)(=O)c3c(F)cccc3F)nc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.44
JAK2 O60674 2/20 0.44
TYK2 P29597 2/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
EPHB3 P54753 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NLRP3 Q96P20 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40

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 0.91 IRAK4 (0.44) IRAK4JAK2TYK2JAK1JAK3
SCHEMBL16460557 0.88 IRAK4 (0.52) IRAK4JAK2TYK2JAK1JAK3
SCHEMBL400997 0.87 IRAK4 (0.47) IRAK4NPC1RAB9ASMN1; SMN2HTT
SCHEMBL16459824 0.86 GPR27 (0.46) IRAK4JAK2TYK2SMN1; SMN2
SCHEMBL16461386 0.86 GPR27 (0.44) IRAK4JAK2TYK2JAK1JAK3
SCHEMBL16461057 0.85 GPR27 (0.47) IRAK4JAK2TYK2JAK1JAK3
SCHEMBL16460642 0.85 NTRK1 (0.45) IRAK4JAK2TYK2JAK1JAK3
SCHEMBL406737 0.82 IRAK4 (0.51) IRAK4JAK2TYK2JAK1JAK3
SCHEMBL16461059 0.82 IRAK4 (0.49) IRAK4JAK2EPHB3NPC1RAB9A
SCHEMBL404579 0.82 JAK2 (0.55) IRAK4JAK2TYK2JAK1JAK3

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885JAK2 1/4885TYK2 18/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885JAK2 1/4885TYK2 18/4885

“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.