SCHEMBL4802282

SCHEMBL4802282

COc1ccccc1Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.63
FLT1 P17948 2/20 0.63
KDR P35968 2/20 0.63
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
EGFR P00533 2/20 0.39
BCL2L2 Q92843 1/20 0.39

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
SCHEMBL4803546 0.88 TEK (0.66) TEKFLT1KDRALDH1A1HPGD
SCHEMBL4803015 0.88 TEK (0.56) TEKFLT1KDRALDH1A1HPGD
SCHEMBL4803686 0.88 TEK (0.66) TEKFLT1KDRALDH1A1HPGD
SCHEMBL4798219 0.87 TEK (0.61) TEKFLT1KDRALDH1A1HPGD
SCHEMBL27617984 0.87 TEK (0.64) TEKFLT1KDRALDH1A1HPGD
SCHEMBL4803150 0.86 TEK (0.63) TEKFLT1KDRALDH1A1NPC1
SCHEMBL4804616 0.84 TEK (0.69) TEKFLT1KDRALDH1A1NPC1
SCHEMBL27637182 0.84 TEK (0.61) TEKFLT1KDRALDH1A1HPGD
SCHEMBL4795867 0.83 TEK (0.74) TEKFLT1KDRALDH1A1HPGD
SCHEMBL4801025 0.83 TEK (0.70) TEKFLT1KDRALDH1A1HPGD

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.