SCHEMBL13465776

SCHEMBL13465776

Bc1cccc2nc(N)nn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 6/20 0.58
JAK1 P23458 3/20 0.49
EGLN2 Q96KS0 1/20 0.49
JAK3 P52333 1/20 0.37
PDPK1 O15530 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
ADK P55263 1/20 0.33
AHR P35869 1/20 0.33
CHEK1 O14757 1/20 0.32
MET P08581 1/20 0.32
LTK P29376 1/20 0.32
CDK9 P50750 1/20 0.32
PRKX P51817 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24656050 0.81 NUDT1 (0.59) NUDT1JAK1EGLN2JAK3PDPK1
SCHEMBL3300546 0.78 NUDT1 (0.57) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL2773330 0.78 NUDT1 (0.57) NUDT1JAK1EGLN2JAK3PDPK1
SCHEMBL27038245 0.78 NUDT1 (0.56) NUDT1JAK1EGLN2JAK3PDPK1
SCHEMBL30927826 0.78 NUDT1 (0.56) NUDT1JAK1EGLN2JAK3PDPK1
SCHEMBL45713 0.78 NUDT1 (0.56) NUDT1JAK1EGLN2JAK3PDPK1
SCHEMBL3596030 0.73 NUDT1 (0.51) NUDT1JAK1EGLN2JAK3PDPK1
SCHEMBL13390876 0.73 NUDT1 (0.56) NUDT1JAK1EGLN2JAK3PDPK1
SCHEMBL3262213 0.73 NUDT1 (0.51) NUDT1JAK1EGLN2JAK3PDPK1
SCHEMBL13390528 0.73 NUDT1 (0.51) NUDT1JAK1EGLN2JAK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 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 (1 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-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NUDT1 3080/4885JAK1 2/4885EGLN2 3771/4885

“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.