SCHEMBL404579

SCHEMBL404579

O=C(Nc1ccccc1)c1cnn2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
TYK2 P29597 1/20 0.55
JAK3 P52333 1/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
GPR27 Q9NS67 5/20 0.47
AVPR2 P30518 4/20 0.47
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
SLC20A2 Q08357 1/20 0.45
SLC20A1 Q8WUM9 1/20 0.45
KDM1A O60341 1/20 0.44
IDH2 P48735 2/20 0.44
ACLY P53396 1/20 0.43
CASP6 P55212 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL400997 0.88 IRAK4 (0.47) MEN1KMT2AGPR27LMNAIRAK4
SCHEMBL402044 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3GPR27
SCHEMBL16459824 0.84 GPR27 (0.46) JAK2TYK2MEN1KMT2AGPR27
SCHEMBL16461386 0.84 GPR27 (0.44) JAK2JAK1TYK2JAK3GPR27
SCHEMBL404578 0.83 TGFBR1 (0.49) JAK2JAK1TYK2JAK3TSHR
SCHEMBL406737 0.83 IRAK4 (0.51) JAK2JAK1TYK2JAK3MEN1
SCHEMBL16460148 0.83 GPR27 (0.49) JAK2MEN1KMT2AGPR27AVPR2
SCHEMBL16461298 0.82 NPC1 (0.48) JAK2MEN1KMT2AGPR27AVPR2
SCHEMBL16459757 0.82 IRAK4 (0.44) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL405830 0.82 JAK2 (0.54) JAK2JAK1TYK2JAK3IRAK4

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 JAK2 1/4885JAK1 2/4885TYK2 18/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 18/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 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.