SCHEMBL5467679

SCHEMBL5467679

[O]CC(F)CN1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.35
SLC18A3 Q16572 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL5467682 0.82 KCNA3 (0.36) KCNA3SLC18A3KDM4EALDH1A1GPR119
SCHEMBL1570119 0.79 KCNA3 (0.39) KCNA3SLC18A3KDM4EALDH1A1LMNA
SCHEMBL16050762 0.72 KCNA3 (0.35) KCNA3SLC18A3KDM4EALDH1A1LMNA
SCHEMBL4494210 0.71 USP2 (0.50) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4495849 0.71 GAA (0.38) KDM4ELMNAMEN1KMT2A
SCHEMBL4501019 0.71 USP2 (0.50) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4504097 0.71 GAA (0.38) KDM4ELMNAMEN1KMT2A
SCHEMBL1259722 0.71
SCHEMBL5039025 0.70 PIK3CD (0.47) KCNA3KDM4EALDH1A1GPR119
SCHEMBL4508583 0.70 PIK3CD (0.47) KCNA3KDM4EALDH1A1GPR119

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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US claimed
US-7173135-B2 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB (SE) 2007-02-06 US claimed
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 claimed
EP-1521751-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS Astrazeneca AB (SE) 2005-04-13 EP claimed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 WO claimed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US disclosed
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 (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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 KCNA3 1150/4885SLC18A3 4390/4885KDM4E 660/4885
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 KCNA3 2769/4885SLC18A3 4633/4885KDM4E 1305/4885

“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.