SCHEMBL5459201

SCHEMBL5459201

COCC#Cc1ccc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)cc(OC4CCOCC4)c23)c2c1OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.51
KDR P35968 12/20 0.51
EGFR P00533 2/20 0.48
LCK P06239 2/20 0.48
YES1 P07947 2/20 0.48
CSK P41240 2/20 0.48
FGFR1 P11362 1/20 0.48
AURKB Q96GD4 1/20 0.48
MAP2K1 Q02750 3/20 0.47
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
FYN P06241 2/20 0.45
BMPR1B O00238 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
RIPK2 O43353 1/20 0.45
STK10 O94804 1/20 0.45
MAP4K4 O95819 1/20 0.45
LYN P07948 1/20 0.45
RET P07949 1/20 0.45

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
Hydrochloric Acid SCHEMBL5459141 0.99 SRC (0.51) SRCKDREGFRLCKYES1
SCHEMBL5463324 0.86 SRC (0.51) SRCKDREGFRMAP2K1ABL1
Hydrochloric Acid SCHEMBL7130370 0.86 SRC (0.68) SRCKDREGFRLCKYES1
Hydrochloric Acid SCHEMBL5461965 0.85 SRC (0.51) SRCKDREGFRMAP2K1ABL1
SCHEMBL5461942 0.82 SRC (0.49) SRCKDREGFRABL1ABL2
Hydrochloric Acid SCHEMBL5463205 0.81 SRC (0.49) SRCKDREGFRABL1ABL2
SCHEMBL5454206 0.81 SRC (0.69) SRCEGFRMAP2K1ABL1BCR
SCHEMBL7065518 0.79 SRC (0.49) SRCKDREGFRLCKYES1
SCHEMBL4027114 0.79 SRC (0.67) SRCKDREGFRLCKYES1
SCHEMBL3679556 0.79 SRC (0.75) SRCKDREGFRLCKYES1

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 SRC 147/4885KDR 555/4885EGFR 241/4885
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 454/4885EGFR 80/4885

“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.