SCHEMBL4743598

SCHEMBL4743598

COC(=O)c1cncc(OCCN(Cc2ccc(F)cc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A4 P14672 2/20 0.40
SLC2A8 Q9NY64 1/20 0.40
P2RX3 P56373 1/20 0.39
SLC2A1 P11166 3/20 0.38
GRM5 P41594 1/20 0.38
SSTR4 P31391 1/20 0.37
PDE6D O43924 1/20 0.37
F2 P00734 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL14030942 0.87 SLC2A4 (0.40) SLC2A4SLC2A8SLC2A1SSTR4F2
SCHEMBL14005309 0.85 SSTR4 (0.39) SLC2A4SLC2A8SLC2A1SSTR4F2
SCHEMBL5153408 0.76 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2HCRTR2
SCHEMBL6508209 0.75 SSTR4 (0.44) SLC2A4SLC2A8SSTR4
SCHEMBL14004843 0.75 KDM4E (0.42) SLC2A1F2HDAC3HDAC1HDAC2
SCHEMBL4784596 0.74 CTSS (0.46) P2RX3GRM5HDAC3HDAC1HDAC2
SCHEMBL4784587 0.74 CTSS (0.46) P2RX3GRM5HDAC3HDAC1HDAC2
SCHEMBL14030032 0.72 GGPS1 (0.40) F2
SCHEMBL4744310 0.72 SSTR4 (0.56) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL3899039 0.72 SSTR4 (0.47) SSTR4HDAC3HDAC1HDAC2NCOR2

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 SLC2A4 3636/4885SLC2A8 3963/4885P2RX3 1593/4885

“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.