SCHEMBL4741776

SCHEMBL4741776

COC(=O)c1cncc(Oc2ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ATM Q13315 1/20 0.39
P2RX3 P56373 11/20 0.38
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALPL P05186 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
CYP2A6 P11509 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL6882614 0.81 MAPK1 (0.51) ALDH1A1SYK
SCHEMBL4741655 0.80 LMNA (0.42) CYP11B1CYP11B2ATMP2RX3GRM5
SCHEMBL4745801 0.78 ALDH1A1 (0.42) CYP11B1CYP11B2ATMGRM5ALDH1A1
SCHEMBL4745855 0.78 ALDH1A1 (0.42) ATMGRM5ALDH1A1SIRT2SIRT1
SCHEMBL4741924 0.77 ALDH1A1 (0.41) CYP11B1CYP11B2ATMGRM5ALDH1A1
SCHEMBL18211758 0.77 HDAC1 (0.38) ALDH1A1SYK
SCHEMBL4744314 0.75 CYP11B1 (0.49) CYP11B1CYP11B2ATMP2RX3GRM5
SCHEMBL30581055 0.75 ATM (0.50) CYP11B1CYP11B2ATMALDH1A1ALPL
SCHEMBL29073767 0.75 ATM (0.50) CYP11B1CYP11B2ATMALDH1A1ALPL
SCHEMBL4039719 0.74 MAPK1 (0.49) ALDH1A1

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 CYP11B1 1317/4885CYP11B2 1289/4885ATM 707/4885

“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.