SCHEMBL4804587

SCHEMBL4804587

Cn1cnc(-c2cccc(Br)c2)c1-c1cc2c(N)ncnc2s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 8/20 0.78
FLT1 P17948 2/20 0.78
KDR P35968 2/20 0.78
ADK P55263 1/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.36
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4466113 0.89 TEK (0.81) TEKFLT1KDRALDH1A1POLB
SCHEMBL4796404 0.88 TEK (0.79) TEKFLT1KDRADKALDH1A1
SCHEMBL4802939 0.88 TEK (1.00) TEKFLT1KDRALDH1A1POLB
SCHEMBL4798793 0.87 TEK (0.78) TEKFLT1KDRALDH1A1POLB
SCHEMBL4804269 0.87 TEK (0.78) TEKFLT1KDRALDH1A1POLB
SCHEMBL4481073 0.87 TEK (0.78) TEKFLT1KDRALDH1A1POLB
SCHEMBL4797446 0.85 TEK (0.57) TEKFLT1KDRALDH1A1POLB
SCHEMBL4803199 0.85 TEK (0.74) TEKFLT1KDRMEN1KMT2A
SCHEMBL4802652 0.84 TEK (0.80) TEKFLT1KDR
SCHEMBL4797380 0.84 TEK (0.55) TEKFLT1KDRALDH1A1POLB

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.