SCHEMBL4716494

SCHEMBL4716494

O=C(Nc1cccc(F)c1)Nc1cccc(C#Cc2cnc(NCCCN3CCCCC3)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
KCNH2 Q12809 2/20 0.44
CHRNA7 P36544 1/20 0.44
MCHR1 Q99705 4/20 0.44
MET P08581 1/20 0.44
MCHR2 Q969V1 1/20 0.44
KDR P35968 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR4 Q13639 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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) CCR3HTR2AHTR2CMCHR1MET
SCHEMBL4717402 0.92 MCHR1 (0.51) CCR3HTR2AHRH3MCHR1MET
SCHEMBL4717448 0.87 EPHX2 (0.46) CCR3HTR2AHTR2CHRH3KCNH2
SCHEMBL4714395 0.85 HRH3 (0.45) CCR3HTR2AHRH3MCHR1KDR
SCHEMBL4715395 0.85 MCHR1 (0.52) MCHR1MCHR2
SCHEMBL4716640 0.85 MCHR1 (0.44) CCR3HTR2CHRH3MCHR1MCHR2
SCHEMBL4718602 0.85 ALDH1A1 (0.46) MCHR1MCHR2KDRFLT1FLT4
SCHEMBL4717277 0.85 MAPK1 (0.47) HTR2AHTR2CHRH3MCHR1
SCHEMBL4717814 0.84 BRAF (0.46) HTR2AHTR2CHRH3MCHR1MCHR2
SCHEMBL4715838 0.83 MAPK14 (0.48) MCHR1MCHR2

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 3 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

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 CCR3 3102/4885HTR2A 1982/4885HTR2C 2883/4885

“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.