SCHEMBL4742802

SCHEMBL4742802

CC[C@H](COc1cncc(C(=O)OC)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
ATM Q13315 1/20 0.40
SYK P43405 2/20 0.39
AAK1 Q2M2I8 7/20 0.39
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ATR Q13535 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4742805 1.00 GRM5 (0.40) GRM5ATMSYKAAK1SIRT2
SCHEMBL14005639 0.86 GRM5 (0.37) GRM5ATMSYKAAK1SIRT2
SCHEMBL4745255 0.86 GRM5 (0.37) GRM5ATMSYKAAK1SIRT2
SCHEMBL14030002 0.86 SYK (0.40) ATMSYKAAK1CYP3A4
SCHEMBL14005058 0.84 AAK1 (0.40) ATMSYKAAK1CYP1A2CYP3A4
SCHEMBL14004850 0.84 AAK1 (0.40) ATMSYKAAK1CYP1A2CYP3A4
SCHEMBL4784587 0.84 CTSS (0.46) GRM5ATMAAK1CTSSCTSK
SCHEMBL4784596 0.84 CTSS (0.46) GRM5ATMAAK1CTSSCTSK
SCHEMBL4745115 0.83 CTSS (0.48) GRM5ATMSYKSIRT2SIRT1
SCHEMBL4745113 0.83 CTSS (0.48) GRM5ATMSYKSIRT2SIRT1

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 GRM5 4351/4885ATM 707/4885SYK 478/4885

“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.