SCHEMBL4964468

SCHEMBL4964468

Cc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1N

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.70
ERBB2 P04626 3/20 0.70
MAP3K8 P41279 14/20 0.59
SRC P12931 1/20 0.56

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
SCHEMBL14924281 0.91 EGFR (0.75) EGFRERBB2MAP3K8SRC
SCHEMBL7004183 0.88 EGFR (0.67) EGFRERBB2MAP3K8
SCHEMBL1896455 0.87 EGFR (0.85) EGFRERBB2SRC
Hydrochloric Acid SCHEMBL2843055 0.86 EGFR (0.83) EGFRERBB2SRC
Hydrochloric Acid SCHEMBL2840495 0.86 EGFR (0.83) EGFRERBB2SRC
SCHEMBL14924280 0.85 EGFR (0.70) EGFRERBB2MAP3K8SRC
SCHEMBL2574073 0.85 EGFR (0.85) EGFRERBB2SRC
SCHEMBL27728120 0.84 EGFR (0.71) EGFRERBB2MAP3K8SRC
Hydrochloric Acid SCHEMBL2052299 0.84 EGFR (0.84) EGFRERBB2SRC
SCHEMBL1891925 0.84 MAP3K8 (0.73) EGFRERBB2MAP3K8

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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US disclosed
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885MAP3K8 593/4885
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 EGFR 4122/4885ERBB2 1721/4885MAP3K8 84/4885

“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.