SCHEMBL4745642

SCHEMBL4745642

COC(=O)c1cncc(Oc2cnccc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.41
CYP17A1 P05093 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIRT2 Q8IXJ6 3/20 0.39
SIRT1 Q96EB6 3/20 0.39
SIRT3 Q9NTG7 3/20 0.39
GRM5 P41594 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL4743579 0.79 ATM (0.44) ATMATRCYP17A1NAMPTGRM5
SCHEMBL29706100 0.78 NAMPT (0.46) ATRCYP17A1NAMPTALDH1A1POLB
SCHEMBL2353760 0.78 NAMPT (0.46) ATRCYP17A1NAMPTALDH1A1POLB
SCHEMBL4741924 0.77 ALDH1A1 (0.41) ATMALDH1A1SIRT2SIRT1SIRT3
SCHEMBL4784599 0.77 USP2 (0.49) ATMALDH1A1SIRT2SIRT1SIRT3
SCHEMBL4745294 0.75 L3MBTL1 (0.48) GRM5
SCHEMBL5777673 0.75 NAMPT (0.45) ATRCYP17A1NAMPT
SCHEMBL950258 0.75 ATR (0.53) ATRCYP17A1NAMPTALDH1A1TSHR
SCHEMBL4741898 0.74 USP2 (0.52) ATMALDH1A1SIRT2SIRT1SIRT3
SCHEMBL31145167 0.73 ATM (0.51) ATMATRCYP17A1NAMPTALDH1A1

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 ATM 707/4885ATR 1496/4885CYP17A1 2916/4885

“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.