SCHEMBL4806052

SCHEMBL4806052

Cn1cnc(-c2ccc(F)cc2)c1-c1cc2c(N)ncnc2s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.79
FLT1 P17948 2/20 0.79
KDR P35968 2/20 0.79
MAPK14 Q16539 3/20 0.47
NR3C2 P08235 2/20 0.42
MAP4K4 O95819 1/20 0.40
IKBKB O14920 1/20 0.40
TNIK Q9UKE5 1/20 0.39
FGFR1 P11362 1/20 0.38
KIT P10721 1/20 0.38
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4A O75164 1/20 0.37

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
SCHEMBL4802343 0.91 TEK (0.83) TEKFLT1KDRMAPK14KIT
SCHEMBL4800818 0.89 TEK (0.79) TEKFLT1KDRMAPK14KDM4E
SCHEMBL4796404 0.89 TEK (0.79) TEKFLT1KDRMAPK14KIT
SCHEMBL4797768 0.89 TEK (0.79) TEKFLT1KDRMAPK14MAP4K4
SCHEMBL4803000 0.89 TEK (0.79) TEKFLT1KDRMAPK14FGFR1
SCHEMBL4802939 0.88 TEK (1.00) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4798793 0.88 TEK (0.78) TEKFLT1KDRMAP4K4FGFR1
SCHEMBL4802728 0.87 TEK (0.76) TEKFLT1KDRMAP4K4KDM2B
SCHEMBL4803081 0.86 TEK (0.65) TEKFLT1KDRMAPK14MAP4K4
SCHEMBL4801246 0.84 TEK (0.57) TEKFLT1KDRMAPK14NR3C2

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 8 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
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO 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.