SCHEMBL8941471

SCHEMBL8941471

FC(F)(F)c1cc(NCc2ccccc2)cc(-c2c[nH]c3ncc(Cl)cc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.57
DYRK1A Q13627 9/20 0.52
CLK1 P49759 9/20 0.52
RIPK1 Q13546 2/20 0.48
LCK P06239 2/20 0.47
CSF1R P07333 2/20 0.47
FLT1 P17948 2/20 0.47
KDR P35968 2/20 0.47
FLT3 P36888 2/20 0.47
NTRK3 Q16288 2/20 0.47
AURKB Q96GD4 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
MAPK13 O15264 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
PAK4 O96013 1/20 0.47

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
SCHEMBL8941190 0.83 JAK2 (0.68) JAK2DYRK1ACLK1RIPK1LCK
SCHEMBL8941068 0.82 JAK2 (0.58) JAK2DYRK1ACLK1RIPK1LCK
SCHEMBL8941520 0.78 JAK2 (0.68) JAK2DYRK1ACLK1RIPK1LCK
SCHEMBL8940238 0.74 JAK2 (0.55) JAK2DYRK1ALCKCSF1RFLT1
SCHEMBL8941748 0.74 JAK2 (1.00) JAK2DYRK1ALCKFLT1KDR
SCHEMBL8940047 0.72 CDK2 (0.57) JAK2DYRK1ALCKCSF1RFLT1
SCHEMBL8939809 0.72 CLK4 (0.71) JAK2DYRK1ALCKCSF1RFLT1
SCHEMBL1266390 0.71 CYP2C9 (0.67) DYRK1ACLK1LCKCSF1RFLT1
SCHEMBL1266707 0.71 CYP2C9 (0.61) DYRK1ACLK1LCKCSF1RFLT1
SCHEMBL1267424 0.70 CYP2C9 (0.70) JAK2LCKCSF1RFLT1KDR

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 17 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-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 US disclosed
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 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-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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 US disclosed
US-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 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 (4 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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 JAK2 2/4885DYRK1A 461/4885CLK1 894/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 JAK2 2/4885DYRK1A 461/4885CLK1 894/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 JAK2 2/4885DYRK1A 461/4885CLK1 894/4885
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 JAK2 2/4885DYRK1A 461/4885CLK1 894/4885

“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.