SCHEMBL4743596

SCHEMBL4743596

COC(=O)c1cncc(OC[C@@H](Cc2cccc(Cl)c2)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
ATM Q13315 1/20 0.40
GRM5 P41594 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CYP3A4 P08684 5/20 0.39
SCN9A Q15858 1/20 0.39
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
CTSB P07858 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
SYK P43405 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DCLK1 O15075 1/20 0.37
MAPK13 O15264 1/20 0.37
PDPK1 O15530 1/20 0.37

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
SCHEMBL4743594 1.00 CTSL (0.49) CTSLATMGRM5SIRT2SIRT1
SCHEMBL4744853 0.85 HDAC3 (0.41) ATMGRM5CYP3A4SCN9AAAK1
SCHEMBL4744851 0.85 HDAC3 (0.41) ATMGRM5CYP3A4SCN9AAAK1
SCHEMBL4784596 0.84 CTSS (0.46) ATMGRM5CYP3A4CTSSCTSK
SCHEMBL4784587 0.84 CTSS (0.46) ATMGRM5CYP3A4CTSSCTSK
SCHEMBL4745113 0.82 CTSS (0.48) CTSLATMGRM5SIRT2SIRT1
SCHEMBL4745115 0.82 CTSS (0.48) CTSLATMGRM5SIRT2SIRT1
SCHEMBL4742802 0.82 GRM5 (0.40) ATMGRM5SIRT2SIRT1SIRT3
SCHEMBL4742805 0.82 GRM5 (0.40) ATMGRM5SIRT2SIRT1SIRT3
SCHEMBL14030166 0.78 ATM (0.53) CTSLATMCYP3A4CTSSCTSK

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 CTSL 4101/4885ATM 707/4885GRM5 4351/4885

“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.