SCHEMBL4741489

SCHEMBL4741489

COC(=O)c1cncc(Oc2cccnc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SIRT2 Q8IXJ6 7/20 0.45
SIRT1 Q96EB6 7/20 0.45
SIRT3 Q9NTG7 7/20 0.45
ATM Q13315 1/20 0.44
USP2 O75604 1/20 0.44
GRM5 P41594 2/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4741739 0.82 ALDH1A1 (0.48) ALDH1A1SIRT2SIRT1SIRT3ATM
SCHEMBL4742091 0.81 KMT2A (0.57) ALDH1A1SIRT2SIRT1SIRT3ATM
SCHEMBL4741898 0.80 USP2 (0.52) ALDH1A1SIRT2SIRT1SIRT3ATM
SCHEMBL4784599 0.80 USP2 (0.49) ALDH1A1SIRT2SIRT1SIRT3ATM
SCHEMBL4745855 0.77 ALDH1A1 (0.42) ALDH1A1SIRT2SIRT1SIRT3ATM
SCHEMBL14030261 0.76 NPC1 (0.45) HTTDGAT2
SCHEMBL2891300 0.76 ATM (0.51) ALDH1A1SIRT2SIRT1SIRT3ATM
SCHEMBL510630 0.76 ATM (0.54) ALDH1A1SIRT2SIRT1SIRT3ATM
SCHEMBL4744314 0.75 CYP11B1 (0.49) SIRT2SIRT1SIRT3ATMGRM5
SCHEMBL6472639 0.75 USP2 (0.47) ALDH1A1SIRT2SIRT1SIRT3ATM

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 ALDH1A1 2573/4885SIRT2 1154/4885SIRT1 933/4885

“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.