SCHEMBL5461933

SCHEMBL5461933

N#Cc1cnc2cc(OCCCN3CCOCC3)cc(OC3CCOCC3)c2c1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.53
KDR P35968 12/20 0.53
MAP2K1 Q02750 4/20 0.48
RAF1 P04049 1/20 0.46
EGFR P00533 2/20 0.46
LCK P06239 1/20 0.45
YES1 P07947 1/20 0.45
FGFR1 P11362 1/20 0.45
CSK P41240 1/20 0.45
AURKB Q96GD4 1/20 0.45
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL5455231 0.89 SRC (0.56) SRCKDRMAP2K1RAF1EGFR
SCHEMBL7065518 0.79 SRC (0.49) SRCKDRMAP2K1RAF1EGFR
Hydrochloric Acid SCHEMBL7068675 0.78 SRC (0.49) SRCKDRMAP2K1RAF1EGFR
SCHEMBL5464338 0.78 CHRM4 (0.39) IKBKETBK1
Hydrochloric Acid SCHEMBL7130370 0.78 SRC (0.68) SRCKDRMAP2K1RAF1EGFR
SCHEMBL4022457 0.78 SRC (0.68) SRCKDRMAP2K1EGFRLCK
SCHEMBL16742200 0.76 SRC (0.53) SRCKDRMAP2K1EGFRLCK
SCHEMBL5459201 0.76 SRC (0.51) SRCKDRMAP2K1EGFRLCK
SCHEMBL5465901 0.75 SRC (0.48) SRCKDRMAP2K1RAF1EGFR
Hydrochloric Acid SCHEMBL5459141 0.75 SRC (0.51) SRCKDRMAP2K1EGFRLCK

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 8 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 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
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047583-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 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 SRC 147/4885KDR 555/4885MAP2K1 73/4885
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 SRC 49/4885KDR 454/4885MAP2K1 54/4885

“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.