SCHEMBL4801078

SCHEMBL4801078

Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CCO)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.71
FLT1 P17948 2/20 0.71
KDR P35968 2/20 0.71
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
FRK P42685 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3B P49841 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
RCE1 Q9Y256 1/20 0.43
NPC1 O15118 4/20 0.40

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
SCHEMBL4796280 0.94 TEK (0.69) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4798686 0.90 TEK (0.72) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4799022 0.88 TEK (0.72) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4804074 0.88 TEK (0.72) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4795867 0.87 TEK (0.74) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4803457 0.87 TEK (0.67) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4801025 0.87 TEK (0.70) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4801906 0.86 TEK (0.64) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4804616 0.86 TEK (0.69) TEKFLT1KDRKDM4ESMN1; SMN2
SCHEMBL4809893 0.86 TEK (0.63) TEKFLT1KDRKDM4ESMN1; 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 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
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

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.