SCHEMBL4743579

SCHEMBL4743579

COC(=O)c1cncc(Oc2cncc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
NAMPT P43490 1/20 0.44
GRM5 P41594 8/20 0.41
ATR Q13535 1/20 0.40
ALPL P05186 2/20 0.40
CYP17A1 P05093 2/20 0.39
P2RX3 P56373 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HIF1A Q16665 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
SCHEMBL7822474 0.90 ATM (0.51) ATMNAMPTATRALPLCYP17A1
SCHEMBL31145167 0.90 ATM (0.51) ATMNAMPTATRALPLCYP17A1
SCHEMBL4741552 0.87 ATM (0.38) ATMNAMPTATRALPLCYP17A1
SCHEMBL6928387 0.84 GRM5 (0.52) NAMPTGRM5CYP17A1
SCHEMBL31093763 0.83 NAMPT (0.47) NAMPTGRM5ATRCYP17A1
SCHEMBL14395723 0.83 NAMPT (0.47) NAMPTGRM5ATRCYP17A1
SCHEMBL4745642 0.79 ATM (0.42) ATMNAMPTGRM5ATRCYP17A1
SCHEMBL14428036 0.79 NAMPT (0.54) NAMPTATRCYP17A1
SCHEMBL27077040 0.79 NAMPT (0.44) NAMPTALPLCYP17A1
SCHEMBL4745294 0.78 L3MBTL1 (0.48) GRM5

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 1276/4885GRM5 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.