SCHEMBL5460403

SCHEMBL5460403

COc1cc2ncc(C#N)c(Nc3ccc(C#Cc4ccccn4)c4c3OCO4)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.56
EGFR P00533 4/20 0.55
ERBB2 P04626 4/20 0.55
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
MAP2K1 Q02750 2/20 0.52

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 SCHEMBL5490823 0.99 SRC (0.55) SRCEGFRERBB2ABL1BCR
SCHEMBL6210593 0.92 SRC (0.54) SRCEGFRERBB2
SCHEMBL4487359 0.88 SRC (0.57) SRCEGFRERBB2ABL1BCR
SCHEMBL4498795 0.88 SRC (0.63) SRCEGFRERBB2ABL1BCR
SCHEMBL4495250 0.85 SRC (0.60) SRCEGFRERBB2ABL1BCR
SCHEMBL5452058 0.84 SRC (0.55) SRCEGFRERBB2ABL1BCR
Hydrochloric Acid SCHEMBL5466160 0.84 SRC (0.55) SRCEGFRERBB2ABL1BCR
SCHEMBL5464328 0.82 SRC (0.54) SRCEGFRERBB2ABL1BCR
SCHEMBL4498460 0.81 SRC (0.66) SRCEGFRERBB2ABL1BCR
SCHEMBL5460734 0.81 SRC (0.56) SRCEGFRERBB2ABL1BCR

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-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-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

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 147/4885EGFR 241/4885ERBB2 168/4885
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 49/4885EGFR 80/4885ERBB2 44/4885

“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.