SCHEMBL4796348

SCHEMBL4796348

CSc1ncnc2sc(-c3c(-c4ccccc4)nc(Br)n3C)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.49
FLT1 P17948 2/20 0.49
KDR P35968 2/20 0.49
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL4796009 0.88 TEK (0.50) TEKFLT1KDRIKBKBCHUK
SCHEMBL4805405 0.84 TEK (0.69) TEKFLT1KDR
SCHEMBL4802477 0.83 TEK (0.50) TEKFLT1KDRIKBKBCHUK
SCHEMBL4797040 0.83 TEK (0.47) TEKFLT1KDRIKBKBCHUK
SCHEMBL4796320 0.82 TEK (0.72) TEKFLT1KDRIKBKBCHUK
SCHEMBL4799773 0.77 TEK (0.74) TEKFLT1KDRIKBKBCHUK
SCHEMBL4801626 0.77 TEK (0.58) TEKFLT1KDRIKBKBCHUK
SCHEMBL4799293 0.75 TEK (0.75) TEKFLT1KDR
SCHEMBL4803605 0.72 TEK (0.67) TEKFLT1KDRALDH1A1HPGD
SCHEMBL4800139 0.72 TEK (0.70) TEKFLT1KDR

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 5 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 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.