SCHEMBL4741552

SCHEMBL4741552

COC(=O)c1cncc(Oc2cc(NC(=O)OC(C)(C)C)c[n+]([O-])c2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.36
P2RX3 P56373 6/20 0.35
ALPL P05186 4/20 0.35
ATR Q13535 1/20 0.35
CYP17A1 P05093 3/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KAT6A Q92794 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL4743579 0.87 ATM (0.44) ATMNAMPTP2RX3ALPLATR
SCHEMBL4741678 0.78 ATM (0.44) ATMP2RX3ALPLCYP11B1CYP11B2
SCHEMBL7822474 0.77 ATM (0.51) ATMNAMPTALPLATRCYP17A1
SCHEMBL31145167 0.77 ATM (0.51) ATMNAMPTALPLATRCYP17A1
SCHEMBL4745642 0.72 ATM (0.42) ATMNAMPTATRCYP17A1CYP11B1
SCHEMBL6928387 0.72 GRM5 (0.52) NAMPTCYP17A1
SCHEMBL4745294 0.72 L3MBTL1 (0.48) CYP3A4
SCHEMBL14395723 0.70 NAMPT (0.47) NAMPTATRCYP17A1
SCHEMBL31093763 0.70 NAMPT (0.47) NAMPTATRCYP17A1
SCHEMBL90358 0.69 KDM4E (0.50) CYP3A4

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 ATM 707/4885NAMPT 1276/4885P2RX3 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.