SCHEMBL4745263

SCHEMBL4745263

COC(=O)c1cncc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.49
P2RX3 P56373 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46
PDE4B Q07343 1/20 0.43
USP30 Q70CQ3 3/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B2 P19099 2/20 0.41
PIK3CD O00329 3/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
UCHL1 P09936 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL4745261 1.00 CHEK2 (0.49) CHEK2P2RX3P2RX2PDE4BUSP30
SCHEMBL4741775 0.94 PIK3CD (0.46) CHEK2PDE4BUSP30PIK3CD
SCHEMBL4742866 0.94 PIK3CD (0.46) CHEK2PDE4BUSP30PIK3CD
SCHEMBL4741773 0.94 PIK3CD (0.46) CHEK2PDE4BUSP30PIK3CD
SCHEMBL4784604 0.90 CHEK2 (0.51) CHEK2P2RX3P2RX2PDE4BUSP30
SCHEMBL4742807 0.90 CHEK2 (0.51) CHEK2P2RX3P2RX2PDE4BUSP30
SCHEMBL14127666 0.87 GPR119 (0.51) CHEK2P2RX3P2RX2PDE4BALDH1A1
SCHEMBL14780123 0.84 CHEK2 (0.49) CHEK2P2RX3P2RX2PDE4BUSP30
SCHEMBL14780124 0.84 CHEK2 (0.49) CHEK2P2RX3P2RX2PDE4BUSP30
SCHEMBL16195910 0.84 CHEK2 (0.49) CHEK2P2RX3P2RX2PDE4BUSP30

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 CHEK2 536/4885P2RX3 1593/4885P2RX2 1697/4885

“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.