SCHEMBL4959619

SCHEMBL4959619

Cc1cc(NCCN2CCOCC2)cc2c(Nc3cccc(Br)c3)c(C#N)cnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.59
ERBB2 P04626 5/20 0.59
MAP3K8 P41279 10/20 0.54
MAPK13 O15264 4/20 0.50
SRC P12931 4/20 0.50
MAPK12 P53778 4/20 0.50
MAP2K1 Q02750 4/20 0.50
MAPK11 Q15759 4/20 0.50
MAPK14 Q16539 4/20 0.50
PRKD3 O94806 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCH P24723 1/20 0.50
PRKCI P41743 1/20 0.50
PRKCE Q02156 1/20 0.50
PRKCQ Q04759 1/20 0.50
PRKCZ Q05513 1/20 0.50
PRKCD Q05655 1/20 0.50
PRKD1 Q15139 1/20 0.50

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
SCHEMBL4963176 0.88 EGFR (0.54) EGFRERBB2MAP3K8MAPK13SRC
SCHEMBL4964021 0.83 MAP3K8 (0.64) EGFRMAP3K8MAPK13SRCMAPK12
SCHEMBL4774110 0.81 MAP3K8 (0.74) EGFRERBB2MAP3K8MAPK13SRC
SCHEMBL4960758 0.77 MAP3K8 (0.61) EGFRERBB2MAP3K8MAPK13MAPK12
SCHEMBL6071744 0.77 MAP3K8 (0.55) EGFRERBB2MAP3K8MAPK13SRC
SCHEMBL4961565 0.76 EGFR (0.58) EGFRERBB2
SCHEMBL6379750 0.76 EGFR (0.60) EGFRERBB2SRCMAP2K1
SCHEMBL6382853 0.76 EGFR (0.58) EGFRERBB2SRCMAP2K1
SCHEMBL6383845 0.75 EGFR (1.00) EGFRERBB2
SCHEMBL4959649 0.74 MAP3K8 (0.73) EGFRERBB2MAP3K8MAPK13SRC

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
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 (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-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.