SCHEMBL4800892

SCHEMBL4800892

CC(C)CC(C)n1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.70
FLT1 P17948 2/20 0.70
KDR P35968 2/20 0.70
POLB P06746 2/20 0.42
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4797402 0.92 TEK (0.70) TEKFLT1KDRPOLBALDH1A1
SCHEMBL4796897 0.91 TEK (0.76) TEKFLT1KDRPOLBALDH1A1
SCHEMBL4805492 0.91 TEK (0.69) TEKFLT1KDRPOLBALDH1A1
SCHEMBL4797465 0.89 TEK (0.66) TEKFLT1KDRPOLBALDH1A1
SCHEMBL4799273 0.88 TEK (0.71) TEKFLT1KDRPOLBALDH1A1
SCHEMBL6250157 0.87 TEK (0.64) TEKFLT1KDRPOLBALDH1A1
SCHEMBL4800301 0.85 TEK (0.70) TEKFLT1KDRPOLBALDH1A1
SCHEMBL4800464 0.85 TEK (0.61) TEKFLT1KDRPOLBALDH1A1
SCHEMBL4802404 0.84 TEK (0.65) TEKFLT1KDRPOLBALDH1A1
SCHEMBL4802939 0.82 TEK (1.00) TEKFLT1KDRPOLBALDH1A1

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.