SCHEMBL4745855

SCHEMBL4745855

COC(=O)c1cncc(Oc2cccnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
DGAT2 Q96PD7 8/20 0.38
KMT2A Q03164 2/20 0.38
GRM5 P41594 1/20 0.38
ATM Q13315 1/20 0.37
CYP2C9 P11712 1/20 0.37
SIRT2 Q8IXJ6 3/20 0.37
SIRT1 Q96EB6 3/20 0.37
SIRT3 Q9NTG7 3/20 0.37
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4745801 0.84 ALDH1A1 (0.42) ALDH1A1DGAT2GRM5ATMCYP2C9
SCHEMBL4741924 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AGRM5ATMSIRT2
SCHEMBL4741776 0.78 CYP11B1 (0.41) ALDH1A1GRM5ATMSIRT2SIRT1
SCHEMBL4741655 0.77 LMNA (0.42) ALDH1A1GRM5ATMSIRT2SIRT1
SCHEMBL4741489 0.77 ALDH1A1 (0.48) ALDH1A1DGAT2KMT2AGRM5ATM
SCHEMBL4742091 0.73 KMT2A (0.57) ALDH1A1KMT2AGRM5ATMCYP2C9
SCHEMBL30581055 0.72 ATM (0.50) ALDH1A1KMT2AATMCYP2C9
SCHEMBL29073767 0.72 ATM (0.50) ALDH1A1KMT2AATMCYP2C9
SCHEMBL4745642 0.72 ATM (0.42) ALDH1A1GRM5ATMSIRT2SIRT1
SCHEMBL7257309 0.70 KDM4E (0.42) ALDH1A1KMT2AATM

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 2573/4885DGAT2 2721/4885KMT2A 2789/4885

“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.