SCHEMBL8942604

SCHEMBL8942604

C[C@H](Nc1nc(-c2c[nH]c3ncc([N+](=O)[O-])cc23)ncc1F)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.46
GSK3B P49841 7/20 0.46
FLT3 P36888 7/20 0.46
JAK2 O60674 5/20 0.46
SRC P12931 4/20 0.46
PIK3CG P48736 4/20 0.46
PLK1 P53350 4/20 0.46
ROCK2 O75116 3/20 0.46
KDR P35968 3/20 0.46
ROCK1 Q13464 3/20 0.46
CDK2 P24941 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
PRKACA P17612 3/20 0.44
PIK3CD O00329 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PIK3CA P42336 1/20 0.42
DYRK1A Q13627 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
SCHEMBL13777917 0.91 GSK3A (0.48) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL13918675 0.88
SCHEMBL8942813 0.84 GSK3A (0.49) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL8943037 0.84 FLT3 (0.49) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL8942540 0.84 JAK2 (0.49) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL8942886 0.83 GSK3A (0.51) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL8943614 0.82 DYRK1A (0.40) DYRK1A
SCHEMBL8942411 0.81 GSK3A (0.51) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL8942606 0.81 GSK3A (0.48) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL8942877 0.81 GSK3A (0.47) GSK3AGSK3BFLT3JAK2SRC

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-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 US disclosed
US-8501446-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 GSK3A 308/4885GSK3B 401/4885FLT3 310/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 GSK3A 308/4885GSK3B 401/4885FLT3 310/4885

“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.