SCHEMBL4796280

SCHEMBL4796280

Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CCCO)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.69
FLT1 P17948 2/20 0.69
KDR P35968 2/20 0.69
MAP4K4 O95819 2/20 0.52
MAPK9 P45984 2/20 0.52
CSNK1A1 P48729 2/20 0.52
CSNK1D P48730 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52
PRKD3 O94806 1/20 0.52
FRK P42685 1/20 0.52
GSK3B P49841 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
RCE1 Q9Y256 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 3/20 0.43

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
SCHEMBL4801078 0.94 TEK (0.71) TEKFLT1KDRMAP4K4MAPK9
SCHEMBL4804074 0.90 TEK (0.72) TEKFLT1KDRMAP4K4MAPK9
SCHEMBL4799022 0.90 TEK (0.72) TEKFLT1KDRMAP4K4MAPK9
SCHEMBL4798686 0.89 TEK (0.72) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4803544 0.87 TEK (0.68) TEKFLT1KDRMAP4K4MAPK9
SCHEMBL4806216 0.86 TEK (0.61) TEKFLT1KDRMAP4K4MAPK9
SCHEMBL4795867 0.85 TEK (0.74) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4801025 0.85 TEK (0.70) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4803457 0.85 TEK (0.67) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4803703 0.85 TEK (0.64) TEKFLT1KDRALDH1A1KDM4E

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.