SCHEMBL4802665

SCHEMBL4802665

Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3CCCCC3)cc12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.68
FLT1 P17948 2/20 0.62
KDR P35968 2/20 0.62
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPK1 P28482 4/20 0.43
GAA P10253 1/20 0.42
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
CAMKK2 Q96RR4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL4797878 1.00 TEK (0.68) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL5748636 0.87 TEK (0.58) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4802520 0.87 TEK (0.58) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4801369 0.85 TEK (0.70) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL6248720 0.84 TEK (0.50) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4795867 0.83 TEK (0.74) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4803646 0.82 TEK (0.67) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4804616 0.82 TEK (0.69) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4798686 0.82 TEK (0.72) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4801078 0.81 TEK (0.71) 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 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
CN-1688579-A Condensed pyridines and pyrimidines with TIE2 (TEK) activity ASTRAZENECA AB (SE) 2005-10-26 CN 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
CN-1688579-A Condensed pyridines and pyrimidines with TIE2 (TEK) activity ASTRAZENECA AB (SE) 2005-10-26 CN 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.