SCHEMBL4798243

SCHEMBL4798243

Cn1cnc(-c2ccccc2)c1-c1nc2c(S)ncnc2s1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.75
FLT1 P17948 4/20 0.75
KDR P35968 4/20 0.75
NSD3 Q9BZ95 1/20 0.45
IKBKB O14920 2/20 0.41
CHUK O15111 1/20 0.41
TNIK Q9UKE5 1/20 0.36
NTRK1 P04629 1/20 0.35
NSD2 O96028 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK14 Q16539 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL4798753 0.86 TEK (1.00) TEKFLT1KDRNSD3IKBKB
SCHEMBL4798366 0.85 TEK (0.73) TEKFLT1KDRNSD3IKBKB
SCHEMBL4796320 0.84 TEK (0.72) TEKFLT1KDRNSD3IKBKB
SCHEMBL4795815 0.79 TEK (0.64) TEKFLT1KDRNSD3IKBKB
SCHEMBL4800195 0.77 TEK (0.62) TEKFLT1KDRNSD3IKBKB
SCHEMBL6277387 0.75 TEK (0.55) TEKFLT1KDRNSD3IKBKB
SCHEMBL4802074 0.72 TEK (0.69) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4799293 0.71 TEK (0.75) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4800579 0.71 TEK (1.00) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4796437 0.70 TEK (0.84) TEKFLT1KDRADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US claimed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP claimed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US claimed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR TEK 2/4885FLT1 6/4885KDR 3/4885

“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.