SCHEMBL5118440

SCHEMBL5118440

COc1ccc(CNc2cc3c(Nc4cccc(C(C)C)c4)c(C#N)cnc3cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.63
ERBB2 P04626 8/20 0.63
MAP3K8 P41279 6/20 0.57
MAPK13 O15264 1/20 0.52
EIF2AK2 P19525 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
MAP2K1 Q02750 3/20 0.49
PDE4B Q07343 1/20 0.47
RAF1 P04049 2/20 0.47
GAK O14976 2/20 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
SCHEMBL4769778 0.88 EGFR (0.68) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL5111293 0.83 MAP3K8 (0.79) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL4766981 0.77 EGFR (0.69) EGFRERBB2MAP3K8PDE4BGAK
SCHEMBL5119154 0.77 MAP3K8 (0.73) EGFRERBB2MAP3K8MAPK13MAPK12
SCHEMBL5124937 0.74 MAP3K8 (0.71) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL6382015 0.73 EGFR (0.69) EGFRERBB2MAP3K8PDE4BGAK
SCHEMBL6642821 0.73 MAP2K1 (0.50) EGFRERBB2MAP2K1RAF1
SCHEMBL5111372 0.73 MAP3K8 (0.67) EGFRMAP3K8MAPK13EIF2AK2MAPK12
SCHEMBL4776035 0.73 MAP3K8 (1.00) MAP3K8MAPK13EIF2AK2MAPK12MAPK11
SCHEMBL4766912 0.72 MAP3K8 (0.79) EGFRERBB2MAP3K8MAPK13EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432279-B2 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2008-10-07 US disclosed
US-20060276498-A1 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-12-07 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-20060276498-A1 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CNKSR1, DTYMK EGFR 2871/4885ERBB2 1101/4885MAP3K8 99/4885

“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.