SCHEMBL4741739

SCHEMBL4741739

COC(=O)c1cncc(Oc2ncccc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.44
GRM5 P41594 1/20 0.43
DGAT2 Q96PD7 5/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
SIRT3 Q9NTG7 2/20 0.41
ABL1 P00519 1/20 0.40
CYP2C9 P11712 1/20 0.40
GRM4 Q14833 1/20 0.40

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
SCHEMBL4741489 0.82 ALDH1A1 (0.48) ALDH1A1ATMGRM5DGAT2ALOX15
SCHEMBL4744776 0.81 KMT2A (0.55) ALDH1A1TDP1ATMCYP2C9
SCHEMBL4911314 0.80 CCR2 (0.44) ALDH1A1ATMGRM5USP2CYP11B1
SCHEMBL4741898 0.77 USP2 (0.52) ALDH1A1ATMGRM5HTTUSP2
SCHEMBL4784599 0.77 USP2 (0.49) ALDH1A1ATMGRM5HTTUSP2
SCHEMBL4745801 0.77 ALDH1A1 (0.42) ALDH1A1TDP1ATMGRM5DGAT2
SCHEMBL14030952 0.76 DGAT2 (0.39) DGAT2CYP2C9GRM4
SCHEMBL2891300 0.76 ATM (0.51) ALDH1A1ATMGRM5USP2CYP11B1
SCHEMBL510630 0.76 ATM (0.54) ALDH1A1TDP1ATMGRM5CYP11B1
SCHEMBL4744314 0.75 CYP11B1 (0.49) ATMGRM5CYP11B1CYP11B2SIRT2

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 2573/4885TDP1 863/4885ATM 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.