SCHEMBL4965102

SCHEMBL4965102

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(C)=O

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.81
ERBB2 P04626 13/20 0.81
STK3 Q13188 1/20 0.75
STK4 Q13043 3/20 0.74
ERBB4 Q15303 1/20 0.67

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
SCHEMBL20395134 0.92 EGFR (0.69) EGFRERBB2STK3STK4ERBB4
SCHEMBL2201863 0.92 STK3 (0.82) EGFRERBB2STK3STK4
SCHEMBL15320764 0.92 EGFR (0.81) EGFRERBB2
SCHEMBL20395133 0.91 EGFR (0.83) EGFRERBB2STK4ERBB4
SCHEMBL20395100 0.90 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL20412206 0.90 EGFR (1.00) EGFRERBB2STK3STK4ERBB4
SCHEMBL28547439 0.89 EGFR (0.74) EGFRERBB2STK3STK4
SCHEMBL20395683 0.89 EGFR (0.84) EGFRERBB2STK4ERBB4
SCHEMBL4963941 0.89 EGFR (0.86) EGFRERBB2
SCHEMBL4963947 0.89 EGFR (0.86) EGFRERBB2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759583-B Quinoline derivative containing furyl and preparation method and application thereof 河南省医药科学研究院 2022-10-11 CN disclosed
CN-112694439-B Phenyl acrylamide quinoline derivative and preparation method and application thereof 河南省医药科学研究院 2022-08-30 CN disclosed
CN-112625025-B Pyridyl substituted quinoline derivative and its prepn and use 河南省医药科学研究院 2022-03-29 CN disclosed
CN-112759583-A Quinoline derivative containing furyl and preparation method and application thereof 河南省医药科学研究院 2021-05-07 CN disclosed
CN-112694439-A Phenyl acrylamide quinoline derivative and preparation method and application thereof 河南省医药科学研究院 2021-04-23 CN disclosed
CN-112625025-A Pyridyl substituted quinoline derivative and its prepn and use 河南省医药科学研究院 2021-04-09 CN disclosed
EP-1883631-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF Wyeth (US) 2008-02-06 EP disclosed
WO-2006127207-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF WYETH (US) 2006-11-30 WO disclosed
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof WYETH (US) 2006-11-30 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 (1 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-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof HCCS, CYP3A7, QPCT EGFR 4068/4885ERBB2 3200/4885STK3 444/4885

“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.