SCHEMBL4745801

SCHEMBL4745801

COC(=O)c1cncc(Oc2ncccc2N(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 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
DGAT2 Q96PD7 8/20 0.40
CYP2C9 P11712 1/20 0.39
GRM5 P41594 1/20 0.38
ATM Q13315 1/20 0.37
ABL1 P00519 1/20 0.37
P2RY1 P47900 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP19A1 P11511 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
SCHEMBL4745855 0.84 ALDH1A1 (0.42) ALDH1A1DGAT2CYP2C9GRM5ATM
SCHEMBL4741924 0.81 ALDH1A1 (0.41) ALDH1A1GRM5ATMCYP11B1CYP11B2
SCHEMBL4741776 0.78 CYP11B1 (0.41) ALDH1A1GRM5ATMCYP11B1CYP11B2
SCHEMBL4741655 0.77 LMNA (0.42) ALDH1A1TDP1GRM5ATMHTT
SCHEMBL4741739 0.77 ALDH1A1 (0.48) ALDH1A1TDP1DGAT2CYP2C9GRM5
SCHEMBL21855448 0.74 L3MBTL1 (0.48) ALDH1A1TDP1ALOX15HTT
SCHEMBL4744776 0.73 KMT2A (0.55) ALDH1A1TDP1CYP2C9ATM
SCHEMBL29073767 0.72 ATM (0.50) ALDH1A1TDP1CYP2C9ATMCYP11B1
SCHEMBL30581055 0.72 ATM (0.50) ALDH1A1TDP1CYP2C9ATMCYP11B1
SCHEMBL15635981 0.72 MAPK1 (0.40) ALDH1A1TDP1ATMCYP11B1CYP11B2

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 863/4885DGAT2 2721/4885

“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.