SCHEMBL8944248

SCHEMBL8944248

c1ccc(CNc2cccc(-c3c[nH]c4ncc(-c5cccnc5)cc34)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.65
CLK1 P49759 8/20 0.65
PIK3CA P42336 2/20 0.58
NTRK1 P04629 2/20 0.58
PLCG1 P19174 2/20 0.57
KIT P10721 1/20 0.57
IGF1R P08069 1/20 0.56
RIPK1 Q13546 1/20 0.56
NEK1 Q96PY6 2/20 0.55
AXL P30530 1/20 0.55
CDK8 P49336 1/20 0.55
TNIK Q9UKE5 1/20 0.55
SGK1 O00141 1/20 0.55
CCNT1 O60563 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CDK9 P50750 1/20 0.53

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
SCHEMBL8939991 0.82 CDK2 (0.66) DYRK1ACLK1PIK3CANTRK1KIT
SCHEMBL8941190 0.82 JAK2 (0.68) DYRK1ACLK1NTRK1IGF1RRIPK1
SCHEMBL14319049 0.82 DYRK1A (0.66) DYRK1ACLK1PIK3CANTRK1PLCG1
SCHEMBL8939801 0.82 CLK4 (0.72) DYRK1ACLK1PIK3CANTRK1KIT
SCHEMBL3768165 0.79 NTRK1 (0.79) DYRK1ACLK1PIK3CANTRK1PLCG1
SCHEMBL4171362 0.78 NTRK1 (0.70) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL8941520 0.76 JAK2 (0.68) DYRK1ACLK1NTRK1IGF1RRIPK1
SCHEMBL3761694 0.75 NTRK1 (0.84) DYRK1ACLK1PIK3CANTRK1PLCG1
SCHEMBL26175478 0.75 KIT (0.67) DYRK1APIK3CANTRK1PLCG1KIT
SCHEMBL12572864 0.75 KIT (0.64) DYRK1APIK3CANTRK1PLCG1KIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20070043063-A1 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 2007-02-22 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 DYRK1A 461/4885CLK1 894/4885PIK3CA 125/4885
US-20070043063-A1 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 LCK, PDXK, CHUK DYRK1A 488/4885CLK1 998/4885PIK3CA 61/4885

“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.