SCHEMBL4784599

SCHEMBL4784599

COC(=O)c1cncc(Oc2cnccc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
GLA P06280 3/20 0.48
GAA P10253 3/20 0.48
ATM Q13315 2/20 0.47
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
SIRT2 Q8IXJ6 5/20 0.42
SIRT1 Q96EB6 5/20 0.42
SIRT3 Q9NTG7 5/20 0.42
GRM5 P41594 1/20 0.40
PARP1 P09874 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CYP19A1 P11511 1/20 0.40
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 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
SCHEMBL4741898 0.90 USP2 (0.52) USP2ALDH1A1KDM4EGLAGAA
SCHEMBL4741489 0.80 ALDH1A1 (0.48) USP2ALDH1A1ATMCYP11B1CYP11B2
SCHEMBL2891300 0.78 ATM (0.51) USP2ALDH1A1ATMCYP11B1CYP11B2
SCHEMBL4745636 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EGAAATMSIRT2
SCHEMBL6472639 0.77 USP2 (0.47) USP2ALDH1A1GAAATMCYP11B1
SCHEMBL4741739 0.77 ALDH1A1 (0.48) USP2ALDH1A1ATMCYP11B1CYP11B2
SCHEMBL4745642 0.77 ATM (0.42) ALDH1A1KDM4EATMCYP11B1CYP11B2
SCHEMBL6386132 0.75 SIRT2 (0.46) USP2ALDH1A1KDM4EGLAGAA
SCHEMBL14030954 0.75 ICAM1 (0.38) ALDH1A1KDM4EGLAGAACYP11B1
SCHEMBL4744314 0.75 CYP11B1 (0.49) ATMCYP11B1CYP11B2SIRT2SIRT1

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 USP2 4028/4885ALDH1A1 2573/4885KDM4E 1909/4885

“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.