SCHEMBL4803472

SCHEMBL4803472

CN1CCN(CCn2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.67
FLT1 P17948 2/20 0.67
KDR P35968 2/20 0.67
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 3/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PTGS2 P35354 1/20 0.41
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
YES1 P07947 1/20 0.39
FGR P09769 1/20 0.39
SRC P12931 1/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 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
SCHEMBL4803703 0.94 TEK (0.64) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL4797183 0.93 TEK (0.58) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL4802464 0.91 TEK (0.64) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL4798686 0.85 TEK (0.72) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL4804074 0.84 TEK (0.72) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL4801078 0.84 TEK (0.71) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4799743 0.84 TEK (0.60) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL4795867 0.84 TEK (0.74) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL4801025 0.83 TEK (0.70) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL4803259 0.83 TEK (0.69) TEKFLT1KDRALDH1A1MAPK1

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 7 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

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.