SCHEMBL5459998

SCHEMBL5459998

COCC#Cc1ccc(Nc2c(C#N)cnc3cc(OCCOCCCl)c(OC)cc23)c2c1OCO2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.55
FYN P06241 2/20 0.50
ABL1 P00519 4/20 0.49
BCR P11274 4/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL5457441 0.95 SRC (0.59) SRCFYNABL1BCREGFR
SCHEMBL5471780 0.94 SRC (0.56) SRCFYNABL1BCREGFR
SCHEMBL5452058 0.91 SRC (0.55) SRCABL1BCREGFRERBB2
SCHEMBL5459083 0.90 SRC (0.58) SRCFYNABL1BCREGFR
Hydrochloric Acid SCHEMBL5466160 0.90 SRC (0.55) SRCABL1BCREGFRERBB2
SCHEMBL5460711 0.89 SRC (0.54) SRCFYNABL1BCREGFR
Hydrochloric Acid SCHEMBL5464450 0.89 SRC (0.57) SRCFYNABL1BCREGFR
SCHEMBL5460734 0.89 SRC (0.56) SRCABL1BCREGFRERBB2
Hydrochloric Acid SCHEMBL5485172 0.88 SRC (0.55) SRCABL1BCREGFRERBB2
SCHEMBL5464328 0.86 SRC (0.54) SRCFYNABL1BCREGFR

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 5 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

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 147/4885FYN 754/4885ABL1 63/4885
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 49/4885FYN 270/4885ABL1 68/4885

“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.