SCHEMBL402044

SCHEMBL402044

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
FLT3 P36888 2/20 0.43
AVPR2 P30518 1/20 0.43
GPR27 Q9NS67 1/20 0.43
KAT6A Q92794 1/20 0.41
PIM1 P11309 4/20 0.41
PIM2 Q9P1W9 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL404579 0.87 JAK2 (0.55) JAK2JAK1TYK2JAK3AVPR2
SCHEMBL400997 0.85 IRAK4 (0.47) GPR27ALDH1A1LMNAIRAK4
SCHEMBL402043 0.84 PIM1 (0.46) JAK2JAK1TYK2JAK3FLT3
SCHEMBL16459824 0.82 GPR27 (0.46) JAK2TYK2AVPR2GPR27ALDH1A1
SCHEMBL16461386 0.82 GPR27 (0.44) JAK2JAK1TYK2JAK3AVPR2
SCHEMBL16460148 0.81 GPR27 (0.49) JAK2AVPR2GPR27RXFP1IRAK4
SCHEMBL16461298 0.80 NPC1 (0.48) JAK2AVPR2GPR27IRAK4
SCHEMBL16459757 0.80 IRAK4 (0.44) JAK2JAK1TYK2JAK3PIM1
SCHEMBL406737 0.79 IRAK4 (0.51) JAK2JAK1TYK2JAK3FLT3
SCHEMBL16460557 0.78 IRAK4 (0.52) 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 5 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-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.