SCHEMBL4745277

SCHEMBL4745277

CN(C)/C=C/c1c(C#N)cnc2ccc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.38
ERBB2 P04626 12/20 0.38
SRC P12931 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
GAK O14976 1/20 0.35
LRRK2 Q5S007 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGES O14684 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
NPC1 O15118 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL4745279 1.00 EGFR (0.38) EGFRERBB2SRCSLC22A12GAK
SCHEMBL4745297 0.77 SRC (0.51) EGFRERBB2SRCGAK
SCHEMBL4745298 0.77 SRC (0.51) EGFRERBB2SRCGAK
SCHEMBL4745808 0.75 EGFR (0.43) EGFRERBB2SRCGAKLRRK2
SCHEMBL1724685 0.74 NOS3 (0.39) HTTALDH1A1NPC1
SCHEMBL1724687 0.74 NOS3 (0.39) HTTALDH1A1NPC1
SCHEMBL529236 0.72 SRC (0.44) EGFRERBB2SRCGAKHTT
SCHEMBL13976998 0.72 EGFR (0.46) EGFRERBB2SRCGAKHTT
SCHEMBL29775134 0.72 EGFR (0.46) EGFRERBB2SRCGAKHTT
SCHEMBL15556832 0.70 SLC22A12 (0.46) SLC22A12GAKHTTALDH1A1PTGES

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 EGFR 3929/4885ERBB2 1069/4885SRC 1453/4885

“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.