SCHEMBL4799715

SCHEMBL4799715

Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3Cc3ccccc3N3CCCCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.59
FLT1 P17948 2/20 0.57
KDR P35968 2/20 0.57
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 4/20 0.47
GAA P10253 2/20 0.45
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
LMNA P02545 1/20 0.38
NCF1 P14598 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4799743 0.91 TEK (0.60) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4796804 0.91 TEK (0.71) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4803875 0.88 TEK (0.54) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4803686 0.85 TEK (0.66) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4795902 0.85 TEK (0.63) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL27617984 0.84 TEK (0.64) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4803150 0.83 TEK (0.63) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4803546 0.83 TEK (0.66) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL6248887 0.82 TEK (0.49) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4804616 0.82 TEK (0.69) TEKFLT1KDRKDM4EALDH1A1

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 10 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
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO 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.