SCHEMBL4799743

SCHEMBL4799743

CN1CCN(c2ccccc2Cn2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.60
FLT1 P17948 2/20 0.60
KDR P35968 2/20 0.60
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NCF1 P14598 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
PIK3CD O00329 1/20 0.38
PTGS2 P35354 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
SCHEMBL4799715 0.91 TEK (0.59) TEKFLT1KDRALDH1A1POLB
SCHEMBL6248887 0.90 TEK (0.49) TEKFLT1KDRALDH1A1POLB
SCHEMBL4796804 0.90 TEK (0.71) TEKFLT1KDRALDH1A1POLB
SCHEMBL4803875 0.87 TEK (0.54) TEKFLT1KDRALDH1A1POLB
SCHEMBL4803472 0.84 TEK (0.67) TEKFLT1KDRALDH1A1POLB
SCHEMBL4803546 0.84 TEK (0.66) TEKFLT1KDRALDH1A1POLB
SCHEMBL4803686 0.84 TEK (0.66) TEKFLT1KDRALDH1A1POLB
SCHEMBL4795902 0.84 TEK (0.63) TEKFLT1KDRALDH1A1MAPK1
SCHEMBL27617984 0.83 TEK (0.64) TEKFLT1KDRALDH1A1POLB
SCHEMBL4803703 0.82 TEK (0.64) TEKFLT1KDRALDH1A1POLB

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 6 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
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.