SCHEMBL4798366

SCHEMBL4798366

COc1ncnc2sc(-c3c(-c4ccccc4)ncn3C)nc12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.73
KDR P35968 4/20 0.73
FLT1 P17948 3/20 0.73
NSD3 Q9BZ95 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
NTRK1 P04629 1/20 0.36
TNIK Q9UKE5 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
FLT4 P35916 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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 0.85 TEK (1.00) TEKKDRFLT1NSD3IKBKB
SCHEMBL4798243 0.85 TEK (0.75) TEKKDRFLT1NSD3IKBKB
SCHEMBL4796320 0.83 TEK (0.72) TEKKDRFLT1NSD3SMN1; SMN2
SCHEMBL4802477 0.82 TEK (0.50) TEKKDRFLT1ALDH1A1NPC1
SCHEMBL4795815 0.78 TEK (0.64) TEKKDRFLT1NSD3IKBKB
SCHEMBL4800495 0.77 TEK (0.45) TEKKDRFLT1ALDH1A1NPC1
SCHEMBL4800195 0.76 TEK (0.62) TEKKDRFLT1NSD3ALDH1A1
SCHEMBL4800150 0.73 TEK (0.76) TEKKDRFLT1NSD3ALDH1A1
SCHEMBL4799293 0.71 TEK (0.75) TEKKDRFLT1
SCHEMBL4803605 0.70 TEK (0.67) TEKKDRFLT1ALDH1A1NPC1

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 2/4885KDR 3/4885FLT1 6/4885

“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.