SCHEMBL4744801

SCHEMBL4744801

N#CCc1c(C#N)cnc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.49
PTGES O14684 1/20 0.40
EGFR P00533 12/20 0.38
ERBB2 P04626 12/20 0.38
SRC P12931 1/20 0.37
GAK O14976 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CHEK1 O14757 1/20 0.36
PIM1 P11309 1/20 0.36
AKT1 P31749 1/20 0.36
FLT3 P36888 1/20 0.36
PIM3 Q86V86 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL529236 0.77 SRC (0.44) CSNK2A1PTGESEGFRERBB2SRC
SCHEMBL29775134 0.77 EGFR (0.46) CSNK2A1PTGESEGFRERBB2SRC
SCHEMBL4745808 0.77 EGFR (0.43) CSNK2A1PTGESEGFRERBB2SRC
SCHEMBL13976998 0.77 EGFR (0.46) CSNK2A1PTGESEGFRERBB2SRC
SCHEMBL27898582 0.73 CSNK2A1 (0.49) CSNK2A1PTGESHTTLMNACHEK1
SCHEMBL4745222 0.72 SRC (0.55) EGFRERBB2SRCGAK
SCHEMBL15556832 0.71 SLC22A12 (0.46) CSNK2A1PTGESGAKHTTLMNA
SCHEMBL28685487 0.70 EGFR (0.41) CSNK2A1PTGESEGFRERBB2SRC
SCHEMBL4745277 0.69 EGFR (0.38) PTGESEGFRERBB2SRCGAK
SCHEMBL4745279 0.69 EGFR (0.38) PTGESEGFRERBB2SRCGAK

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 CSNK2A1 356/4885PTGES 3931/4885EGFR 3929/4885

“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.