SCHEMBL4619906

SCHEMBL4619906

O=C(O)Nc1cncc(I)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
BCAT2 O15382 1/20 0.34
PRMT5 O14744 5/20 0.33
WDR77 Q9BQA1 5/20 0.33
ACP1 P24666 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
NAMPT P43490 1/20 0.33
ATM Q13315 1/20 0.32
RIPK1 Q13546 1/20 0.32
FOLH1 Q04609 2/20 0.31

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
SCHEMBL23565671 0.78 RXFP1 (0.48) RXFP1KDM4EALDH1A1RAB9AACP1
SCHEMBL1531663 0.78 HCAR2 (0.53) KDM4EALDH1A1HCAR2PRMT5WDR77
SCHEMBL3484331 0.78 KDM4E (0.40) KDM4EALDH1A1CNR1HCAR2NPC1
SCHEMBL3935512 0.76 HCAR2 (0.52) KDM4EALDH1A1CNR1HCAR2NPC1
SCHEMBL3007374 0.76 POLB (0.52) KDM4EALDH1A1HCAR2NPC1RAB9A
SCHEMBL28723829 0.76 HCAR2 (0.52) KDM4EALDH1A1CNR1HCAR2NPC1
SCHEMBL12991338 0.76 ALDH1A1 (0.51) RXFP1KDM4EALDH1A1RAB9A
SCHEMBL23565672 0.74 PTPN1 (0.50) RXFP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL13499908 0.74 NAMPT (0.48) RXFP1NAMPT
SCHEMBL17161607 0.73 SCN10A (0.43) KDM4EALDH1A1CNR1HCAR2NPC1

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
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
CN-1917879-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 WO disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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 (2 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 RXFP1 213/4885KDM4E 367/4885ALDH1A1 1339/4885
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 RXFP1 22/4885KDM4E 240/4885ALDH1A1 1756/4885

“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.