SCHEMBL4717448

SCHEMBL4717448

O=C(Nc1ccc(F)cc1)Nc1cccc(C#Cc2cnc(NCCN3CCCC3)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
CNR1 P21554 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
HTR2A P28223 5/20 0.44
HTR2C P28335 3/20 0.44
HTR3A P46098 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR4 Q13639 1/20 0.44
CCR3 P51677 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GCK P35557 1/20 0.41

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
SCHEMBL4718632 0.94 MCHR1 (0.47) EPHX2HTR2AHTR2CCCR3MEN1
SCHEMBL4717277 0.92 MAPK1 (0.47) EPHX2HRH3HTR2AHTR2CMEN1
SCHEMBL4714395 0.90 HRH3 (0.45) EPHX2HRH3HTR2ACCR3MEN1
SCHEMBL4716000 0.90 EPHX2 (0.59) EPHX2HRH3HTR2AHTR2C
SCHEMBL4715814 0.88 MCHR1 (0.49) CNR1HRH3HTR2AHTR2CLMNA
SCHEMBL4715852 0.88 MEN1 (0.52) HRH3HTR2AHTR2CCCR3MEN1
SCHEMBL4716333 0.88 ALDH1A1 (0.49) CNR1HRH3HTR2AHTR2CMEN1
SCHEMBL4716494 0.87 CCR3 (0.46) HRH3HTR2AHTR2CADRA2AADRA2B
SCHEMBL4717402 0.86 MCHR1 (0.51) EPHX2HRH3HTR2AHTR3ACCR3
SCHEMBL4720848 0.86 EPHX2 (0.49) EPHX2CNR1MEN1POLBKMT2A

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 5 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 claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP 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 (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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 EPHX2 1274/4885CNR1 2511/4885HRH3 191/4885

“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.