SCHEMBL5488980

SCHEMBL5488980

C1C[N]C(CN2CCCC2)CNC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
CXCR4 P61073 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL11555193 0.91 CHRM5 (0.33) CHRM5ADRA2C
SCHEMBL945748 0.89 CHRM5 (0.36) CHRM5ADRA2CHRH3
SCHEMBL947318 0.81 CXCR4 (0.40) CXCR4HRH3
SCHEMBL2289712 0.79 CXCR4 (0.31) CXCR4
SCHEMBL5157997 0.75 GAA (0.31)
SCHEMBL39245 0.74 CHRM5 (0.43) CHRM5ADRA2C
SCHEMBL713122 0.74 CHRM5 (0.43) CHRM5ADRA2C
SCHEMBL947556 0.73 CXCR4 (0.39) CXCR4HRH3
SCHEMBL2439970 0.72 CHRM5 (0.46) CHRM5ADRA2CHRH3
SCHEMBL945327 0.72

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173135-B2 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB (SE) 2007-02-06 US disclosed
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1521751-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS Astrazeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 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-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases MAPK1, MAPK3, MAPK4 CHRM5 1029/4885ADRA2C 1053/4885CXCR4 655/4885

“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.