SCHEMBL4801604

SCHEMBL4801604

Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC(O)C(F)(F)F)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.61
FLT1 P17948 2/20 0.61
KDR P35968 2/20 0.61
TGFBR1 P36897 2/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 5/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL4803222 0.87 TEK (0.67) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4809893 0.87 TEK (0.63) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4800301 0.85 TEK (0.70) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4800667 0.84 TEK (0.54) TEKFLT1KDRTGFBR1ALDH1A1
SCHEMBL4795867 0.84 TEK (0.74) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4798686 0.83 TEK (0.72) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4801399 0.83 TEK (0.66) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4797228 0.83 TEK (0.66) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4801078 0.82 TEK (0.71) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4804616 0.81 TEK (0.69) TEKFLT1KDRALDH1A1SMN1; SMN2

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 10 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
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP claimed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO 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.