SCHEMBL4800315

SCHEMBL4800315

Cn1cnc(-c2ccccc2)c1-c1nc2ncnc(N)c2n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 8/20 0.54
FLT1 P17948 4/20 0.54
KDR P35968 4/20 0.54
NSD3 Q9BZ95 1/20 0.46
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ADK P55263 2/20 0.39
LIMK1 P53667 1/20 0.39
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
TNIK Q9UKE5 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
SCHEMBL6247357 0.85 ADORA2A (0.51) TEKFLT1KDRNSD3ADORA3
SCHEMBL4798988 0.81 ADORA2A (0.70) TEKFLT1KDRNSD3ADORA3
SCHEMBL4797681 0.76 TEK (0.60) TEKFLT1KDRNSD3ADORA3
SCHEMBL5749011 0.75 ADORA2A (0.58) TEKFLT1KDRNSD3ADORA3
SCHEMBL4799314 0.71 TEK (0.51) TEKFLT1KDRADORA3ADORA2A
SCHEMBL1009513 0.70 NSD3 (0.83) TEKFLT1KDRNSD3TNIK
SCHEMBL4798753 0.70 TEK (1.00) TEKFLT1KDRNSD3ADORA3
SCHEMBL4802325 0.70 TEK (0.58) TEKFLT1KDRNSD3ADORA3
SCHEMBL783109 0.69 ADORA2A (0.49) ADORA3ADORA2AADORA2BADORA1PI4KA
SCHEMBL29874438 0.69 NSD3 (0.80) TEKFLT1KDRNSD3TNIK

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.