SCHEMBL4744314

SCHEMBL4744314

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CDK8 P49336 13/20 0.48
ATM Q13315 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
GRM5 P41594 1/20 0.43
P2RX3 P56373 1/20 0.43
ST14 Q9Y5Y6 1/20 0.42
CDK7 P50613 1/20 0.41
CDK6 Q00534 1/20 0.41

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
SCHEMBL2891300 0.85 ATM (0.51) CYP11B1CYP11B2ATMSIRT2SIRT1
SCHEMBL2734773 0.84 CDK8 (0.53) CDK8
SCHEMBL2060103 0.84 CDK8 (0.58) CDK8
SCHEMBL4745745 0.80 CYP11B1 (0.45) CYP11B1CYP11B2ATMSIRT2SIRT1
SCHEMBL6386132 0.79 SIRT2 (0.46) CYP11B1CYP11B2ATMSIRT2SIRT1
SCHEMBL20176625 0.79 ATM (0.51) CYP11B1CYP11B2ATMSIRT2SIRT1
SCHEMBL510630 0.79 ATM (0.54) CYP11B1CYP11B2ATMSIRT2SIRT1
SCHEMBL2891205 0.78 SIRT2 (0.45) CYP11B1CYP11B2ATMSIRT2SIRT1
SCHEMBL16880686 0.78 ALDH1A1 (0.57) CYP11B1CYP11B2ATMSIRT2SIRT1
SCHEMBL4745669 0.77 KDM4E (0.50) CYP11B1CYP11B2ATMSIRT2SIRT1

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 1289/4885CDK8 445/4885

“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.