SCHEMBL4745808

SCHEMBL4745808

Cc1c(C#N)cnc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.43
ERBB2 P04626 10/20 0.43
TNF P01375 1/20 0.42
SRC P12931 1/20 0.42
GAK O14976 1/20 0.41
LRRK2 Q5S007 2/20 0.40
PTGES O14684 1/20 0.40
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CHEK1 O14757 1/20 0.38
PIM1 P11309 1/20 0.38
AKT1 P31749 1/20 0.38
FLT3 P36888 1/20 0.38
PIM3 Q86V86 1/20 0.38

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
SCHEMBL13976998 0.81 EGFR (0.46) EGFRERBB2SRCGAKPTGES
SCHEMBL529236 0.81 SRC (0.44) EGFRERBB2TNFSRCGAK
SCHEMBL29775134 0.81 EGFR (0.46) EGFRERBB2SRCGAKPTGES
SCHEMBL3883306 0.81 SRC (0.42) EGFRERBB2SRCLRRK2
SCHEMBL24009012 0.78 MAP2K1 (0.56) EGFRERBB2SRC
SCHEMBL4744801 0.77 CSNK2A1 (0.49) EGFRERBB2SRCGAKPTGES
SCHEMBL3886350 0.77 ALDH1A1 (0.39) EGFRERBB2SRCLRRK2SMN1; SMN2
SCHEMBL3151307 0.76 LRRK2 (0.58) EGFRERBB2SRCLRRK2TSHR
SCHEMBL4745279 0.75 EGFR (0.38) EGFRERBB2SRCGAKLRRK2
SCHEMBL4745277 0.75 EGFR (0.38) EGFRERBB2SRCGAKLRRK2

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 1069/4885TNF 1456/4885

“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.