SCHEMBL8943037

SCHEMBL8943037

C[C@H](Nc1nc(-c2c[nH]c3ncc(Br)cc23)ncc1F)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.49
GSK3A P49840 8/20 0.49
GSK3B P49841 8/20 0.49
JAK2 O60674 7/20 0.49
SRC P12931 6/20 0.49
PIK3CG P48736 6/20 0.49
ROCK2 O75116 5/20 0.49
KDR P35968 5/20 0.49
ROCK1 Q13464 4/20 0.49
PLK1 P53350 4/20 0.49
IRAK4 Q9NWZ3 3/20 0.49
CDK2 P24941 2/20 0.49
PRKACA P17612 5/20 0.45
PIK3CD O00329 4/20 0.45
DYRK1A Q13627 2/20 0.44
SYK P43405 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PLK4 O00444 1/20 0.43
AURKA O14965 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
SCHEMBL8942813 0.88 GSK3A (0.49) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL8942540 0.88 JAK2 (0.49) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL8942886 0.85 GSK3A (0.51) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL8943067 0.85 GSK3A (0.49) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL8942877 0.85 GSK3A (0.47) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL8942905 0.85 GSK3A (0.47) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL8942616 0.84 JAK2 (0.47) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL13777917 0.84 GSK3A (0.48) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL8942606 0.84 GSK3A (0.48) FLT3GSK3AGSK3BJAK2SRC
SCHEMBL8942411 0.84 GSK3A (0.51) FLT3GSK3AGSK3BJAK2SRC

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 13 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-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 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-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-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
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 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 FLT3 310/4885GSK3A 308/4885GSK3B 401/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 FLT3 310/4885GSK3A 308/4885GSK3B 401/4885

“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.