SCHEMBL4960758

SCHEMBL4960758

Cc1cc(NCc2cccnc2)cc2c(Nc3cccc(Br)c3)c(C#N)cnc12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 7/20 0.61
EGFR P00533 13/20 0.49
ERBB2 P04626 11/20 0.49
GAK O14976 1/20 0.48
MAPK13 O15264 1/20 0.47
EIF2AK2 P19525 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 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
SCHEMBL4962089 0.88 MAP3K8 (0.57) MAP3K8EGFRERBB2GAKMAPK13
SCHEMBL4960608 0.82 MAP3K8 (0.69) MAP3K8EGFRMAPK13EIF2AK2MAPK12
SCHEMBL4963905 0.81 MAP3K8 (0.72) MAP3K8EGFRERBB2MAPK13EIF2AK2
SCHEMBL4960756 0.80 EGFR (0.48) MAP3K8EGFRERBB2GAK
SCHEMBL4962466 0.79 MAP3K8 (0.69) MAP3K8EGFRERBB2MAPK13EIF2AK2
SCHEMBL4961565 0.78 EGFR (0.58) EGFRERBB2GAK
SCHEMBL6071930 0.77 MAP3K8 (0.59) MAP3K8EGFRERBB2MAPK13EIF2AK2
SCHEMBL4960399 0.77 MAP3K8 (0.87) MAP3K8EGFRMAPK13EIF2AK2MAPK12
SCHEMBL4959619 0.77 EGFR (0.59) MAP3K8EGFRERBB2MAPK13MAPK12
SCHEMBL6071312 0.76 MAP3K8 (0.65) MAP3K8EGFRERBB2MAPK13EIF2AK2

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 MAP3K8 84/4885EGFR 4122/4885ERBB2 1721/4885

“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.